4-(4-bromophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

C13H9BrN2O — CID 947694

IUPAC4-(4-bromophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2ccc(Br)cc2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C13H9BrN2O/c1-8-6-11(12(7-15)13(17)16-8)9-2-4-10(14)5-3-9/h2-6H,1H3,(H,16,17)
InChIKeyHOUMLSSTOWODNN-UHFFFAOYSA-N
MW289.13 g/mol
LogP2.98
Rot. Bonds1

About 4-(4-bromophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

4-(4-bromophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 947694) has the molecular formula C13H9BrN2O and a molecular weight of 289.13 g/mol. Its IUPAC name is 4-(4-bromophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-bromophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID947694
Molecular FormulaC13H9BrN2O
Molecular Weight289.13 g/mol
Exact Mass287.99
IUPAC Name4-(4-bromophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2ccc(Br)cc2)c(C#N)c(=O)[nH]1
InChIInChI=1S/C13H9BrN2O/c1-8-6-11(12(7-15)13(17)16-8)9-2-4-10(14)5-3-9/h2-6H,1H3,(H,16,17)
InChIKeyHOUMLSSTOWODNN-UHFFFAOYSA-N
XLogP2.98
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-bis(4-bromophenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656390
4-(4-bromo-3-chlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587197
4-(3-bromo-4-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586138
4-(3-fluoro-4-phenylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585191
6-methyl-4-[2-(4-methylphenyl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168584676
4-[3-[(4-bromophenyl)methoxy]-4-methoxyphenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586650
6-methyl-4-[4-(2-methylsulfinylphenyl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168585767
4-[5-bromo-2-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585446
6-methyl-2-oxo-4-(4-pyridin-2-ylphenyl)-1H-pyridine-3-carbonitrile
CID 168584768
4-[3-fluoro-4-(trifluoromethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586026
4-(3-cyanophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584520
4-(6-hydroxynaphthalen-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586115

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(4-bromophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 947694) is 4-(4-bromophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-bromophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(4-bromophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1cc(-c2ccc(Br)cc2)c(C#N)c(=O)[nH]1.
What is the InChIKey of 4-(4-bromophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is HOUMLSSTOWODNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2O/c1-8-6-11(12(7-15)13(17)16-8)9-2-4-10(14)5-3-9/h2-6H,1H3,(H,16,17).
What are the key properties of 4-(4-bromophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
4-(4-bromophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 289.13 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 947694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).