5-bromo-1-[(3-fluoro-4-methylphenyl)methyl]pyridin-2-one

C13H11BrFNO — CID 155295102

IUPAC5-bromo-1-[(3-fluoro-4-methylphenyl)methyl]pyridin-2-one
SMILESCc1ccc(Cn2cc(Br)ccc2=O)cc1F
InChIInChI=1S/C13H11BrFNO/c1-9-2-3-10(6-12(9)15)7-16-8-11(14)4-5-13(16)17/h2-6,8H,7H2,1H3
InChIKeyWUNWFGOYPCTUDP-UHFFFAOYSA-N
MW296.14 g/mol
LogP3.11
Rot. Bonds2

About 5-bromo-1-[(3-fluoro-4-methylphenyl)methyl]pyridin-2-one

5-bromo-1-[(3-fluoro-4-methylphenyl)methyl]pyridin-2-one (PubChem CID 155295102) has the molecular formula C13H11BrFNO and a molecular weight of 296.14 g/mol. Its IUPAC name is 5-bromo-1-[(3-fluoro-4-methylphenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name5-bromo-1-[(3-fluoro-4-methylphenyl)methyl]pyridin-2-one
PubChem CID155295102
Molecular FormulaC13H11BrFNO
Molecular Weight296.14 g/mol
Exact Mass295.00
IUPAC Name5-bromo-1-[(3-fluoro-4-methylphenyl)methyl]pyridin-2-one
SMILESCc1ccc(Cn2cc(Br)ccc2=O)cc1F
InChIInChI=1S/C13H11BrFNO/c1-9-2-3-10(6-12(9)15)7-16-8-11(14)4-5-13(16)17/h2-6,8H,7H2,1H3
InChIKeyWUNWFGOYPCTUDP-UHFFFAOYSA-N
XLogP3.11
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.14
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-1-[(4-chloro-3-fluorophenyl)methyl]pyridin-2-one
CID 102794540
5-bromo-1-[(4-fluoro-3-nitrophenyl)methyl]pyridin-2-one
CID 129052076
5-bromo-1-[(5-bromo-2-fluorophenyl)methyl]pyridin-2-one
CID 47214230
5-bromo-1-[(4-iodophenyl)methyl]pyridin-2-one
CID 66289934
1-benzyl-5-bromopyridin-2-one
CID 15395936
1-[(3-amino-4-methoxyphenyl)methyl]-5-bromopyridin-2-one
CID 28510606
4-[(5-bromo-3-methyl-2-oxo-1-pyridinyl)methyl]-2-fluorobenzoic acid
CID 106698935
5-amino-1-[(4-bromophenyl)methyl]-4-methylpyridin-2-one
CID 79355957
1-[(3-bromo-4-fluorophenyl)methyl]-5-iodo-4-methylpyridin-2-one
CID 79785668
4-[(5-bromo-2-oxo-1-pyridinyl)methyl]pyridine-2-carbonitrile
CID 66310822
3-[(5-bromo-2-oxo-1-pyridinyl)methyl]-4-fluorobenzoic acid
CID 107452073
2-[4-[(5-bromo-2-oxo-1-pyridinyl)methyl]phenyl]acetohydrazide
CID 105352152

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(3-fluoro-4-methylphenyl)methyl]pyridin-2-one?
The IUPAC name of 5-bromo-1-[(3-fluoro-4-methylphenyl)methyl]pyridin-2-one (CID 155295102) is 5-bromo-1-[(3-fluoro-4-methylphenyl)methyl]pyridin-2-one.
What is the SMILES notation for 5-bromo-1-[(3-fluoro-4-methylphenyl)methyl]pyridin-2-one?
The canonical SMILES for 5-bromo-1-[(3-fluoro-4-methylphenyl)methyl]pyridin-2-one is Cc1ccc(Cn2cc(Br)ccc2=O)cc1F.
What is the InChIKey of 5-bromo-1-[(3-fluoro-4-methylphenyl)methyl]pyridin-2-one?
The InChIKey is WUNWFGOYPCTUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO/c1-9-2-3-10(6-12(9)15)7-16-8-11(14)4-5-13(16)17/h2-6,8H,7H2,1H3.
What are the key properties of 5-bromo-1-[(3-fluoro-4-methylphenyl)methyl]pyridin-2-one?
5-bromo-1-[(3-fluoro-4-methylphenyl)methyl]pyridin-2-one has a molecular weight of 296.14 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(3-fluoro-4-methylphenyl)methyl]pyridin-2-one is sourced from PubChem (CID 155295102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).