4-hydroxypyridine (Q24730939)

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chemical compound

• pyridin-4-ol

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Language	Label	Description	Also known as
English	4-hydroxypyridine	chemical compound	pyridin-4-ol

Statements

instance of

type of chemical entity

0 references

subclass of

pyridine alkaloids

1 reference

based on heuristic

inferred from SMILES

mass

95.03711378 dalton

1 reference

based on heuristic

inferred from InChI

tautomer of

4-pyridone

0 references

chemical formula

C₅H₅NO

1 reference

stated in

RCSB protein data bank

PDB ligand ID

CQG

language of work or name

English

retrieved

16 February 2021

canonical SMILES

c1cnccc1O

1 reference

stated in

RCSB protein data bank

PDB ligand ID

CQG

language of work or name

English

retrieved

16 February 2021

melting point

145.0 degree Celsius

1 reference

stated in

Jean-Claude Bradley Open Melting Point Dataset

Identifiers

InChI

InChI=1S/C5H5NO/c7-5-1-3-6-4-2-5/h1-4H,(H,6,7)

criterion used

standard InChI

0 references

InChI=1/C5H5NO/c7-5-1-3-6-4-2-5/h1-4H,(H,6,7)/f/h7H

criterion used

non-standard InChI

0 references

InChIKey

GCNTZFIIOFTKIY-UHFFFAOYSA-N

criterion used

standard InChIKey

1 reference

stated in

ChEBI release 2020-09-01

GCNTZFIIOFTKIY-QDQILVOLNA-N

criterion used

non-standard InChIKey

0 references

CAS Registry Number

626-64-2

1 reference

stated in

CAS Common Chemistry

retrieved

6 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=626-64-2

InChIKey

GCNTZFIIOFTKIY-UHFFFAOYSA-N

PubChem CID

12290

reason for deprecated rank

does not exactly match

2 references

title

RCSB PDB - CQG Ligand Summary Page (English)

stated in

RCSB protein data bank

language of work or name

English

retrieved

21 February 2021

reference URL

https://www.rcsb.org/ligand/CQG

matched by identifier from

InChIKey

InChIKey

GCNTZFIIOFTKIY-UHFFFAOYSA-N

12290

1 reference

stated in

PubChem

retrieved

26 December 2021

inferred from

InChIKey

ChEBI ID

87614

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C5H5NO/c7-5-1-3-6-4-2-5/h1-4H,(H,6,7)

133125

mapping relation type

exact match

1 reference

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C5H5NO/c7-5-1-3-6-4-2-5/h1-4H,(H,6,7)

MassBank accession ID

OUF00068

0 references

NMRShiftDB structure ID

10024219

1 reference

matched by identifier from

InChIKey

InChIKey

GCNTZFIIOFTKIY-UHFFFAOYSA-N

DSSTox substance ID

DTXSID2052310

1 reference

matched by identifier from

InChIKey

InChIKey

GCNTZFIIOFTKIY-UHFFFAOYSA-N

DSSTOX compound identifier

DTXCID9030882

0 references

NSC number

5080

0 references

EC number

210-958-3

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.009.963

retrieved

27 December 2018

title

Pyridin-4-ol (English)

quotation

CAS no.: 626-64-2 (English)

ECHA Substance Infocard ID

100.009.963

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.009.963

retrieved

27 December 2018

title

Pyridin-4-ol (English)

quotation

CAS no.: 626-64-2 (English)

UM-BBD compound ID

c1201

0 references

KNApSAcK ID

C00007406

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

GCNTZFIIOFTKIY-UHFFFAOYSA-N

UNII

3P2MV07G53

1 reference

matched by identifier from

InChIKey

InChIKey

GCNTZFIIOFTKIY-UHFFFAOYSA-N

PDB ligand ID

CQG

0 references

 

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