1-[(3,4-dichlorophenyl)methyl]pyridin-2-one

C12H9Cl2NO — CID 1258293

IUPAC1-[(3,4-dichlorophenyl)methyl]pyridin-2-one
SMILESO=c1ccccn1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H9Cl2NO/c13-10-5-4-9(7-11(10)14)8-15-6-2-1-3-12(15)16/h1-7H,8H2
InChIKeyJMJZHWQTGHJHSR-UHFFFAOYSA-N
MW254.12 g/mol
LogP3.20
Rot. Bonds2

About 1-[(3,4-dichlorophenyl)methyl]pyridin-2-one

1-[(3,4-dichlorophenyl)methyl]pyridin-2-one (PubChem CID 1258293) has the molecular formula C12H9Cl2NO and a molecular weight of 254.12 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]pyridin-2-one
PubChem CID1258293
Molecular FormulaC12H9Cl2NO
Molecular Weight254.12 g/mol
Exact Mass253.01
IUPAC Name1-[(3,4-dichlorophenyl)methyl]pyridin-2-one
SMILESO=c1ccccn1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H9Cl2NO/c13-10-5-4-9(7-11(10)14)8-15-6-2-1-3-12(15)16/h1-7H,8H2
InChIKeyJMJZHWQTGHJHSR-UHFFFAOYSA-N
XLogP3.20
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.12
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]pyridin-2-one?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]pyridin-2-one (CID 1258293) is 1-[(3,4-dichlorophenyl)methyl]pyridin-2-one.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]pyridin-2-one?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]pyridin-2-one is O=c1ccccn1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]pyridin-2-one?
The InChIKey is JMJZHWQTGHJHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO/c13-10-5-4-9(7-11(10)14)8-15-6-2-1-3-12(15)16/h1-7H,8H2.
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]pyridin-2-one?
1-[(3,4-dichlorophenyl)methyl]pyridin-2-one has a molecular weight of 254.12 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]pyridin-2-one is sourced from PubChem (CID 1258293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).