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

C12H8BrClFNO — CID 103040707

IUPAC3-bromo-1-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-one
SMILESO=c1c(Br)cccn1Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H8BrClFNO/c13-9-2-1-5-16(12(9)17)7-8-3-4-11(15)10(14)6-8/h1-6H,7H2
InChIKeyYCHKWYIOOGXTBD-UHFFFAOYSA-N
MW316.56 g/mol
LogP3.45
Rot. Bonds2

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

3-bromo-1-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-one (PubChem CID 103040707) has the molecular formula C12H8BrClFNO and a molecular weight of 316.56 g/mol. Its IUPAC name is 3-bromo-1-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name3-bromo-1-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-one
PubChem CID103040707
Molecular FormulaC12H8BrClFNO
Molecular Weight316.56 g/mol
Exact Mass314.95
IUPAC Name3-bromo-1-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-one
SMILESO=c1c(Br)cccn1Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C12H8BrClFNO/c13-9-2-1-5-16(12(9)17)7-8-3-4-11(15)10(14)6-8/h1-6H,7H2
InChIKeyYCHKWYIOOGXTBD-UHFFFAOYSA-N
XLogP3.45
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.56
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-one?
The IUPAC name of 3-bromo-1-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-one (CID 103040707) is 3-bromo-1-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-one.
What is the SMILES notation for 3-bromo-1-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-one?
The canonical SMILES for 3-bromo-1-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-one is O=c1c(Br)cccn1Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 3-bromo-1-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-one?
The InChIKey is YCHKWYIOOGXTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClFNO/c13-9-2-1-5-16(12(9)17)7-8-3-4-11(15)10(14)6-8/h1-6H,7H2.
What are the key properties of 3-bromo-1-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-one?
3-bromo-1-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-one has a molecular weight of 316.56 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-one is sourced from PubChem (CID 103040707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).