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

C12H9ClFNO — CID 102974955

IUPAC1-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-one
SMILESO=c1ccccn1Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H9ClFNO/c13-10-7-9(4-5-11(10)14)8-15-6-2-1-3-12(15)16/h1-7H,8H2
InChIKeyUXHKCXMCOKPSHZ-UHFFFAOYSA-N
MW237.66 g/mol
LogP2.69
Rot. Bonds2

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

1-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-one (PubChem CID 102974955) has the molecular formula C12H9ClFNO and a molecular weight of 237.66 g/mol. Its IUPAC name is 1-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name1-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-one
PubChem CID102974955
Molecular FormulaC12H9ClFNO
Molecular Weight237.66 g/mol
Exact Mass237.04
IUPAC Name1-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-one
SMILESO=c1ccccn1Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H9ClFNO/c13-10-7-9(4-5-11(10)14)8-15-6-2-1-3-12(15)16/h1-7H,8H2
InChIKeyUXHKCXMCOKPSHZ-UHFFFAOYSA-N
XLogP2.69
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.66
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-one?
The IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-one (CID 102974955) is 1-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-one.
What is the SMILES notation for 1-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-one?
The canonical SMILES for 1-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-one is O=c1ccccn1Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-one?
The InChIKey is UXHKCXMCOKPSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO/c13-10-7-9(4-5-11(10)14)8-15-6-2-1-3-12(15)16/h1-7H,8H2.
What are the key properties of 1-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-one?
1-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-one has a molecular weight of 237.66 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-one is sourced from PubChem (CID 102974955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).