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

C12H8BrClFNO — CID 102794540

IUPAC5-bromo-1-[(4-chloro-3-fluorophenyl)methyl]pyridin-2-one
SMILESO=c1ccc(Br)cn1Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C12H8BrClFNO/c13-9-2-4-12(17)16(7-9)6-8-1-3-10(14)11(15)5-8/h1-5,7H,6H2
InChIKeyCJJICBHUDCRQHL-UHFFFAOYSA-N
MW316.56 g/mol
LogP3.45
Rot. Bonds2

About 5-bromo-1-[(4-chloro-3-fluorophenyl)methyl]pyridin-2-one

5-bromo-1-[(4-chloro-3-fluorophenyl)methyl]pyridin-2-one (PubChem CID 102794540) has the molecular formula C12H8BrClFNO and a molecular weight of 316.56 g/mol. Its IUPAC name is 5-bromo-1-[(4-chloro-3-fluorophenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[(4-chloro-3-fluorophenyl)methyl]pyridin-2-one
PubChem CID102794540
Molecular FormulaC12H8BrClFNO
Molecular Weight316.56 g/mol
Exact Mass314.95
IUPAC Name5-bromo-1-[(4-chloro-3-fluorophenyl)methyl]pyridin-2-one
SMILESO=c1ccc(Br)cn1Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C12H8BrClFNO/c13-9-2-4-12(17)16(7-9)6-8-1-3-10(14)11(15)5-8/h1-5,7H,6H2
InChIKeyCJJICBHUDCRQHL-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 5-bromo-1-[(4-chloro-3-fluorophenyl)methyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[(4-chloro-3-fluorophenyl)methyl]pyridin-2-one (CID 102794540) is 5-bromo-1-[(4-chloro-3-fluorophenyl)methyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[(4-chloro-3-fluorophenyl)methyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[(4-chloro-3-fluorophenyl)methyl]pyridin-2-one is O=c1ccc(Br)cn1Cc1ccc(Cl)c(F)c1.
What is the InChIKey of 5-bromo-1-[(4-chloro-3-fluorophenyl)methyl]pyridin-2-one?
The InChIKey is CJJICBHUDCRQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClFNO/c13-9-2-4-12(17)16(7-9)6-8-1-3-10(14)11(15)5-8/h1-5,7H,6H2.
What are the key properties of 5-bromo-1-[(4-chloro-3-fluorophenyl)methyl]pyridin-2-one?
5-bromo-1-[(4-chloro-3-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 5-bromo-1-[(4-chloro-3-fluorophenyl)methyl]pyridin-2-one is sourced from PubChem (CID 102794540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).