1-[(2-chlorophenyl)methyl]pyridin-4-one

C12H10ClNO — CID 1253322

IUPAC1-[(2-chlorophenyl)methyl]pyridin-4-one
SMILESO=c1ccn(Cc2ccccc2Cl)cc1
InChIInChI=1S/C12H10ClNO/c13-12-4-2-1-3-10(12)9-14-7-5-11(15)6-8-14/h1-8H,9H2
InChIKeyZCPMKPJIWFOWAL-UHFFFAOYSA-N
MW219.67 g/mol
LogP2.55
Rot. Bonds2

About 1-[(2-chlorophenyl)methyl]pyridin-4-one

1-[(2-chlorophenyl)methyl]pyridin-4-one (PubChem CID 1253322) has the molecular formula C12H10ClNO and a molecular weight of 219.67 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]pyridin-4-one.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]pyridin-4-one
PubChem CID1253322
Molecular FormulaC12H10ClNO
Molecular Weight219.67 g/mol
Exact Mass219.05
IUPAC Name1-[(2-chlorophenyl)methyl]pyridin-4-one
SMILESO=c1ccn(Cc2ccccc2Cl)cc1
InChIInChI=1S/C12H10ClNO/c13-12-4-2-1-3-10(12)9-14-7-5-11(15)6-8-14/h1-8H,9H2
InChIKeyZCPMKPJIWFOWAL-UHFFFAOYSA-N
XLogP2.55
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]pyridin-4-one?
The IUPAC name of 1-[(2-chlorophenyl)methyl]pyridin-4-one (CID 1253322) is 1-[(2-chlorophenyl)methyl]pyridin-4-one.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]pyridin-4-one?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]pyridin-4-one is O=c1ccn(Cc2ccccc2Cl)cc1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]pyridin-4-one?
The InChIKey is ZCPMKPJIWFOWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO/c13-12-4-2-1-3-10(12)9-14-7-5-11(15)6-8-14/h1-8H,9H2.
What are the key properties of 1-[(2-chlorophenyl)methyl]pyridin-4-one?
1-[(2-chlorophenyl)methyl]pyridin-4-one has a molecular weight of 219.67 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]pyridin-4-one is sourced from PubChem (CID 1253322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).