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

C12H9BrFNO — CID 52891654

IUPAC5-bromo-1-[(4-fluorophenyl)methyl]pyridin-2-one
SMILESO=c1ccc(Br)cn1Cc1ccc(F)cc1
InChIInChI=1S/C12H9BrFNO/c13-10-3-6-12(16)15(8-10)7-9-1-4-11(14)5-2-9/h1-6,8H,7H2
InChIKeyKDWPQGVJLOJBFR-UHFFFAOYSA-N
MW282.11 g/mol
LogP2.80
Rot. Bonds2

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

5-bromo-1-[(4-fluorophenyl)methyl]pyridin-2-one (PubChem CID 52891654) has the molecular formula C12H9BrFNO and a molecular weight of 282.11 g/mol. Its IUPAC name is 5-bromo-1-[(4-fluorophenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[(4-fluorophenyl)methyl]pyridin-2-one
PubChem CID52891654
Molecular FormulaC12H9BrFNO
Molecular Weight282.11 g/mol
Exact Mass280.99
IUPAC Name5-bromo-1-[(4-fluorophenyl)methyl]pyridin-2-one
SMILESO=c1ccc(Br)cn1Cc1ccc(F)cc1
InChIInChI=1S/C12H9BrFNO/c13-10-3-6-12(16)15(8-10)7-9-1-4-11(14)5-2-9/h1-6,8H,7H2
InChIKeyKDWPQGVJLOJBFR-UHFFFAOYSA-N
XLogP2.80
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.11
LogP ≤ 52.80
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-fluorophenyl)methyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[(4-fluorophenyl)methyl]pyridin-2-one (CID 52891654) is 5-bromo-1-[(4-fluorophenyl)methyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[(4-fluorophenyl)methyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[(4-fluorophenyl)methyl]pyridin-2-one is O=c1ccc(Br)cn1Cc1ccc(F)cc1.
What is the InChIKey of 5-bromo-1-[(4-fluorophenyl)methyl]pyridin-2-one?
The InChIKey is KDWPQGVJLOJBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFNO/c13-10-3-6-12(16)15(8-10)7-9-1-4-11(14)5-2-9/h1-6,8H,7H2.
What are the key properties of 5-bromo-1-[(4-fluorophenyl)methyl]pyridin-2-one?
5-bromo-1-[(4-fluorophenyl)methyl]pyridin-2-one has a molecular weight of 282.11 g/mol, XLogP of 2.80, 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-fluorophenyl)methyl]pyridin-2-one is sourced from PubChem (CID 52891654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).