5-(3,4-dichlorophenyl)-4-(hydroxymethyl)-1H-pyridin-2-one

C12H9Cl2NO2 — CID 133092837

IUPAC5-(3,4-dichlorophenyl)-4-(hydroxymethyl)-1H-pyridin-2-one
SMILESO=c1cc(CO)c(-c2ccc(Cl)c(Cl)c2)c[nH]1
InChIInChI=1S/C12H9Cl2NO2/c13-10-2-1-7(3-11(10)14)9-5-15-12(17)4-8(9)6-16/h1-5,16H,6H2,(H,15,17)
InChIKeyWBVKXDYDSLFMOV-UHFFFAOYSA-N
MW270.12 g/mol
LogP2.84
Rot. Bonds2

About 5-(3,4-dichlorophenyl)-4-(hydroxymethyl)-1H-pyridin-2-one

5-(3,4-dichlorophenyl)-4-(hydroxymethyl)-1H-pyridin-2-one (PubChem CID 133092837) has the molecular formula C12H9Cl2NO2 and a molecular weight of 270.12 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-4-(hydroxymethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-4-(hydroxymethyl)-1H-pyridin-2-one
PubChem CID133092837
Molecular FormulaC12H9Cl2NO2
Molecular Weight270.12 g/mol
Exact Mass269.00
IUPAC Name5-(3,4-dichlorophenyl)-4-(hydroxymethyl)-1H-pyridin-2-one
SMILESO=c1cc(CO)c(-c2ccc(Cl)c(Cl)c2)c[nH]1
InChIInChI=1S/C12H9Cl2NO2/c13-10-2-1-7(3-11(10)14)9-5-15-12(17)4-8(9)6-16/h1-5,16H,6H2,(H,15,17)
InChIKeyWBVKXDYDSLFMOV-UHFFFAOYSA-N
XLogP2.84
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-dichlorophenyl)-5-methyl-1H-pyridin-2-one
CID 133092863
[5-chloro-2-(3,4-dichlorophenyl)phenyl]methanol
CID 71251754
2-[5-(4-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetic acid
CID 131870465
[4-(3,4-dichlorophenyl)-2-fluorophenyl]methanol
CID 118801795
3-(3,4-dichlorophenyl)-5,7-dihydroxy-1H-quinolin-4-one
CID 54204189
4-(3,4-dichlorophenyl)-1H-quinolin-2-one
CID 18987231
[2-chloro-5-(3,4-dichlorophenyl)-3-pyridinyl]methanol
CID 119006015
1,2-dichloro-4-(2-ethylphenyl)benzene
CID 67818201
methyl 5-(3,4-dichlorophenyl)-6-oxo-1H-pyridine-3-carboxylate
CID 133092802
5-[2-(hydroxymethyl)phenyl]-2-oxo-1H-pyridine-4-carboxylic acid
CID 53222732
2-oxo-5-(3,4,5-trichlorophenyl)-1H-pyridine-4-carboxylic acid
CID 133092325
[2-(3,4-dichlorophenyl)-6-fluorophenyl]methanol
CID 118813063

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-4-(hydroxymethyl)-1H-pyridin-2-one?
The IUPAC name of 5-(3,4-dichlorophenyl)-4-(hydroxymethyl)-1H-pyridin-2-one (CID 133092837) is 5-(3,4-dichlorophenyl)-4-(hydroxymethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-4-(hydroxymethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(3,4-dichlorophenyl)-4-(hydroxymethyl)-1H-pyridin-2-one is O=c1cc(CO)c(-c2ccc(Cl)c(Cl)c2)c[nH]1.
What is the InChIKey of 5-(3,4-dichlorophenyl)-4-(hydroxymethyl)-1H-pyridin-2-one?
The InChIKey is WBVKXDYDSLFMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO2/c13-10-2-1-7(3-11(10)14)9-5-15-12(17)4-8(9)6-16/h1-5,16H,6H2,(H,15,17).
What are the key properties of 5-(3,4-dichlorophenyl)-4-(hydroxymethyl)-1H-pyridin-2-one?
5-(3,4-dichlorophenyl)-4-(hydroxymethyl)-1H-pyridin-2-one has a molecular weight of 270.12 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-4-(hydroxymethyl)-1H-pyridin-2-one is sourced from PubChem (CID 133092837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).