1-[(4-bromo-2-chlorophenyl)methyl]-4-methylpyridin-2-one

C13H11BrClNO — CID 115614073

IUPAC1-[(4-bromo-2-chlorophenyl)methyl]-4-methylpyridin-2-one
SMILESCc1ccn(Cc2ccc(Br)cc2Cl)c(=O)c1
InChIInChI=1S/C13H11BrClNO/c1-9-4-5-16(13(17)6-9)8-10-2-3-11(14)7-12(10)15/h2-7H,8H2,1H3
InChIKeyOBDXXHMMWZCURF-UHFFFAOYSA-N
MW312.59 g/mol
LogP3.62
Rot. Bonds2

About 1-[(4-bromo-2-chlorophenyl)methyl]-4-methylpyridin-2-one

1-[(4-bromo-2-chlorophenyl)methyl]-4-methylpyridin-2-one (PubChem CID 115614073) has the molecular formula C13H11BrClNO and a molecular weight of 312.59 g/mol. Its IUPAC name is 1-[(4-bromo-2-chlorophenyl)methyl]-4-methylpyridin-2-one.

Molecular Properties

Compound Name1-[(4-bromo-2-chlorophenyl)methyl]-4-methylpyridin-2-one
PubChem CID115614073
Molecular FormulaC13H11BrClNO
Molecular Weight312.59 g/mol
Exact Mass310.97
IUPAC Name1-[(4-bromo-2-chlorophenyl)methyl]-4-methylpyridin-2-one
SMILESCc1ccn(Cc2ccc(Br)cc2Cl)c(=O)c1
InChIInChI=1S/C13H11BrClNO/c1-9-4-5-16(13(17)6-9)8-10-2-3-11(14)7-12(10)15/h2-7H,8H2,1H3
InChIKeyOBDXXHMMWZCURF-UHFFFAOYSA-N
XLogP3.62
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.59
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-1-[(2-chloro-4-methylphenyl)methyl]indole
CID 106869999
3-bromo-4-[(4-methyl-2-oxo-1-pyridinyl)methyl]benzoic acid
CID 102766201
1-[(2,5-dimethylphenyl)methyl]-4-methylpyridin-2-one
CID 115614095
1-[(5-bromo-2-pyridinyl)methyl]-4-methylpyridin-2-one
CID 104809229
1-[(2-chloro-4-methylphenyl)methyl]-5-methylindole
CID 106870004
1-[(5-bromo-3-pyridinyl)methyl]-4-methylpyridin-2-one
CID 104809227
1-[(4-aminophenyl)methyl]-4-methylpyridin-2-one
CID 62962113
2-[4-[(4-methyl-2-oxo-1-pyridinyl)methyl]phenyl]acetic acid
CID 68750620
1-[(4-bromo-2-chlorophenyl)methyl]-2-ethylimidazole
CID 115769752
1-[[4-(aminomethyl)-2-fluorophenyl]methyl]-4-methylpyridin-2-one
CID 62962293
7-bromo-3-[(4-bromo-2-chlorophenyl)methyl]quinazolin-4-one
CID 115626505
1-[(2,4-dichlorophenyl)methyl]-4-[(4-methylphenyl)methoxy]pyridin-2-one
CID 16657539

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-2-chlorophenyl)methyl]-4-methylpyridin-2-one?
The IUPAC name of 1-[(4-bromo-2-chlorophenyl)methyl]-4-methylpyridin-2-one (CID 115614073) is 1-[(4-bromo-2-chlorophenyl)methyl]-4-methylpyridin-2-one.
What is the SMILES notation for 1-[(4-bromo-2-chlorophenyl)methyl]-4-methylpyridin-2-one?
The canonical SMILES for 1-[(4-bromo-2-chlorophenyl)methyl]-4-methylpyridin-2-one is Cc1ccn(Cc2ccc(Br)cc2Cl)c(=O)c1.
What is the InChIKey of 1-[(4-bromo-2-chlorophenyl)methyl]-4-methylpyridin-2-one?
The InChIKey is OBDXXHMMWZCURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNO/c1-9-4-5-16(13(17)6-9)8-10-2-3-11(14)7-12(10)15/h2-7H,8H2,1H3.
What are the key properties of 1-[(4-bromo-2-chlorophenyl)methyl]-4-methylpyridin-2-one?
1-[(4-bromo-2-chlorophenyl)methyl]-4-methylpyridin-2-one has a molecular weight of 312.59 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-2-chlorophenyl)methyl]-4-methylpyridin-2-one is sourced from PubChem (CID 115614073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).