3-chloro-1-[(4-methoxyphenyl)methyl]pyridin-2-one

C13H12ClNO2 — CID 141379797

IUPAC3-chloro-1-[(4-methoxyphenyl)methyl]pyridin-2-one
SMILESCOc1ccc(Cn2cccc(Cl)c2=O)cc1
InChIInChI=1S/C13H12ClNO2/c1-17-11-6-4-10(5-7-11)9-15-8-2-3-12(14)13(15)16/h2-8H,9H2,1H3
InChIKeyGUYYDRCZOZEDRW-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.56
Rot. Bonds3

About 3-chloro-1-[(4-methoxyphenyl)methyl]pyridin-2-one

3-chloro-1-[(4-methoxyphenyl)methyl]pyridin-2-one (PubChem CID 141379797) has the molecular formula C13H12ClNO2 and a molecular weight of 249.70 g/mol. Its IUPAC name is 3-chloro-1-[(4-methoxyphenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name3-chloro-1-[(4-methoxyphenyl)methyl]pyridin-2-one
PubChem CID141379797
Molecular FormulaC13H12ClNO2
Molecular Weight249.70 g/mol
Exact Mass249.06
IUPAC Name3-chloro-1-[(4-methoxyphenyl)methyl]pyridin-2-one
SMILESCOc1ccc(Cn2cccc(Cl)c2=O)cc1
InChIInChI=1S/C13H12ClNO2/c1-17-11-6-4-10(5-7-11)9-15-8-2-3-12(14)13(15)16/h2-8H,9H2,1H3
InChIKeyGUYYDRCZOZEDRW-UHFFFAOYSA-N
XLogP2.56
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzyl-2-oxo-3-pyridinyl)-2-(4-methoxyphenyl)acetamide
CID 71921771
6-methoxy-2-[(4-methoxyphenyl)methyl]isoquinolin-1-one
CID 127034647
N-(3-chlorophenyl)-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382923
1-[(4-fluorophenyl)methyl]-N-(4-methoxyphenyl)-2-oxopyridine-3-carboxamide
CID 7597717
3-chloro-1-[(4-methoxyphenyl)methyl]pyrrole-2-carbonitrile
CID 153398267
1-but-3-enyl-4-[(4-methoxyphenyl)methyl]pyrazine-2,3-dione
CID 163351485
N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110524555
3-bromo-1-[2-(4-methoxyphenyl)ethyl]pyridin-2-one
CID 114760943
N-(4-ethoxyphenyl)-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382620
N-(2,4-dimethylphenyl)-1-[(4-methoxyphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382915
2-[(4-aminophenyl)methyl]-6-methoxyisoquinolin-1-one
CID 82151488
5-hydroxy-3-[(4-methoxyphenyl)methyl]-6-methylpyrimidin-4-one
CID 156516413

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[(4-methoxyphenyl)methyl]pyridin-2-one?
The IUPAC name of 3-chloro-1-[(4-methoxyphenyl)methyl]pyridin-2-one (CID 141379797) is 3-chloro-1-[(4-methoxyphenyl)methyl]pyridin-2-one.
What is the SMILES notation for 3-chloro-1-[(4-methoxyphenyl)methyl]pyridin-2-one?
The canonical SMILES for 3-chloro-1-[(4-methoxyphenyl)methyl]pyridin-2-one is COc1ccc(Cn2cccc(Cl)c2=O)cc1.
What is the InChIKey of 3-chloro-1-[(4-methoxyphenyl)methyl]pyridin-2-one?
The InChIKey is GUYYDRCZOZEDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2/c1-17-11-6-4-10(5-7-11)9-15-8-2-3-12(14)13(15)16/h2-8H,9H2,1H3.
What are the key properties of 3-chloro-1-[(4-methoxyphenyl)methyl]pyridin-2-one?
3-chloro-1-[(4-methoxyphenyl)methyl]pyridin-2-one has a molecular weight of 249.70 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[(4-methoxyphenyl)methyl]pyridin-2-one is sourced from PubChem (CID 141379797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).