2-[(4-chlorophenyl)diazenyl]-3-hydroxy-6-(hydroxymethyl)-1H-pyridin-4-one

C12H10ClN3O3 — CID 135818561

IUPAC2-[(4-chlorophenyl)diazenyl]-3-hydroxy-6-(hydroxymethyl)-1H-pyridin-4-one
SMILESO=c1cc(CO)[nH]c(/N=N/c2ccc(Cl)cc2)c1O
InChIInChI=1S/C12H10ClN3O3/c13-7-1-3-8(4-2-7)15-16-12-11(19)10(18)5-9(6-17)14-12/h1-5,17,19H,6H2,(H,14,18)/b16-15+
InChIKeyZBRQPGSVRHNWNL-FOCLMDBBSA-N
MW279.68 g/mol
LogP2.64
Rot. Bonds3

About 2-[(4-chlorophenyl)diazenyl]-3-hydroxy-6-(hydroxymethyl)-1H-pyridin-4-one

2-[(4-chlorophenyl)diazenyl]-3-hydroxy-6-(hydroxymethyl)-1H-pyridin-4-one (PubChem CID 135818561) has the molecular formula C12H10ClN3O3 and a molecular weight of 279.68 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)diazenyl]-3-hydroxy-6-(hydroxymethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[(4-chlorophenyl)diazenyl]-3-hydroxy-6-(hydroxymethyl)-1H-pyridin-4-one
PubChem CID135818561
Molecular FormulaC12H10ClN3O3
Molecular Weight279.68 g/mol
Exact Mass279.04
IUPAC Name2-[(4-chlorophenyl)diazenyl]-3-hydroxy-6-(hydroxymethyl)-1H-pyridin-4-one
SMILESO=c1cc(CO)[nH]c(/N=N/c2ccc(Cl)cc2)c1O
InChIInChI=1S/C12H10ClN3O3/c13-7-1-3-8(4-2-7)15-16-12-11(19)10(18)5-9(6-17)14-12/h1-5,17,19H,6H2,(H,14,18)/b16-15+
InChIKeyZBRQPGSVRHNWNL-FOCLMDBBSA-N
XLogP2.64
TPSA98.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.68
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

3-acetyl-5-[(4-chlorophenyl)diazenyl]-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 135818800
2-chloro-6-(hydroxymethyl)-1H-pyridin-4-one
CID 119017350
7-amino-8-[(4-chlorophenyl)diazenyl]-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
CID 135450958
6-[(4-chlorophenyl)diazenyl]-4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;hydrochloride
CID 135439959
5-[[4-[(4-chlorophenyl)diazenyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 162649166
2-[(4-chlorophenyl)diazenyl]pyran-4-one
CID 139236737
[(4-chlorophenyl)diazenyl]methanesulfinic acid
CID 175357872
2-chloro-2-[(4-chlorophenyl)diazenyl]acetic acid
CID 90775888
3-[(4-chlorophenyl)diazenyl]-4-hydroxy-6,7-dimethylchromen-2-one
CID 137098680
4,6-dichloro-3-phenyldiazenyl-2H-isoindol-1-ol
CID 3485127
3-[(4-chlorophenyl)diazenyl]-5-(trifluoromethyl)-1H-indol-2-ol
CID 136867759
5-fluoro-2-(hydroxymethyl)-1H-pyridin-4-one
CID 130781626

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)diazenyl]-3-hydroxy-6-(hydroxymethyl)-1H-pyridin-4-one?
The IUPAC name of 2-[(4-chlorophenyl)diazenyl]-3-hydroxy-6-(hydroxymethyl)-1H-pyridin-4-one (CID 135818561) is 2-[(4-chlorophenyl)diazenyl]-3-hydroxy-6-(hydroxymethyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-[(4-chlorophenyl)diazenyl]-3-hydroxy-6-(hydroxymethyl)-1H-pyridin-4-one?
The canonical SMILES for 2-[(4-chlorophenyl)diazenyl]-3-hydroxy-6-(hydroxymethyl)-1H-pyridin-4-one is O=c1cc(CO)[nH]c(/N=N/c2ccc(Cl)cc2)c1O.
What is the InChIKey of 2-[(4-chlorophenyl)diazenyl]-3-hydroxy-6-(hydroxymethyl)-1H-pyridin-4-one?
The InChIKey is ZBRQPGSVRHNWNL-FOCLMDBBSA-N. The full InChI is InChI=1S/C12H10ClN3O3/c13-7-1-3-8(4-2-7)15-16-12-11(19)10(18)5-9(6-17)14-12/h1-5,17,19H,6H2,(H,14,18)/b16-15+.
What are the key properties of 2-[(4-chlorophenyl)diazenyl]-3-hydroxy-6-(hydroxymethyl)-1H-pyridin-4-one?
2-[(4-chlorophenyl)diazenyl]-3-hydroxy-6-(hydroxymethyl)-1H-pyridin-4-one has a molecular weight of 279.68 g/mol, XLogP of 2.64, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)diazenyl]-3-hydroxy-6-(hydroxymethyl)-1H-pyridin-4-one is sourced from PubChem (CID 135818561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).