1-(3-bromophenyl)-4,5-dimethyl-2-oxopyridine-3-carbonitrile

C14H11BrN2O — CID 82124754

IUPAC1-(3-bromophenyl)-4,5-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1cn(-c2cccc(Br)c2)c(=O)c(C#N)c1C
InChIInChI=1S/C14H11BrN2O/c1-9-8-17(12-5-3-4-11(15)6-12)14(18)13(7-16)10(9)2/h3-6,8H,1-2H3
InChIKeyGQKJISANDXNLIU-UHFFFAOYSA-N
MW303.16 g/mol
LogP3.09
Rot. Bonds1

About 1-(3-bromophenyl)-4,5-dimethyl-2-oxopyridine-3-carbonitrile

1-(3-bromophenyl)-4,5-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 82124754) has the molecular formula C14H11BrN2O and a molecular weight of 303.16 g/mol. Its IUPAC name is 1-(3-bromophenyl)-4,5-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(3-bromophenyl)-4,5-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID82124754
Molecular FormulaC14H11BrN2O
Molecular Weight303.16 g/mol
Exact Mass302.01
IUPAC Name1-(3-bromophenyl)-4,5-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1cn(-c2cccc(Br)c2)c(=O)c(C#N)c1C
InChIInChI=1S/C14H11BrN2O/c1-9-8-17(12-5-3-4-11(15)6-12)14(18)13(7-16)10(9)2/h3-6,8H,1-2H3
InChIKeyGQKJISANDXNLIU-UHFFFAOYSA-N
XLogP3.09
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-2-methylphenyl)-4,5-dimethyl-2-oxopyridine-3-carbonitrile
CID 94282119
1-(3-bromo-4-methylphenyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 82124750
4,5-dimethyl-2-oxo-1-propan-2-ylpyridine-3-carbonitrile
CID 82111825
1-(3-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 82117384
N-(3-bromophenyl)-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide
CID 126417064
1,4,5,7-tetramethyl-2-oxoquinoline-3-carbonitrile
CID 84625068
6-(5-bromo-2-hydroxyphenyl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile
CID 139215624
1-[(3-bromophenyl)methyl]-4-methyl-2-oxo-6-phenylpyridine-3-carbonitrile
CID 142264655
4,5-dimethyl-1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonitrile
CID 82119679
5-amino-1-(3-bromophenyl)imidazole-4-carbonitrile
CID 129452946
3-(5-methyl-2-oxo-1H-imidazol-3-yl)benzonitrile
CID 81445342
1-[(2-fluorophenyl)methyl]-4,5-dimethyl-2-oxopyridine-3-carbonitrile
CID 82120457

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-4,5-dimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-(3-bromophenyl)-4,5-dimethyl-2-oxopyridine-3-carbonitrile (CID 82124754) is 1-(3-bromophenyl)-4,5-dimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-(3-bromophenyl)-4,5-dimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-(3-bromophenyl)-4,5-dimethyl-2-oxopyridine-3-carbonitrile is Cc1cn(-c2cccc(Br)c2)c(=O)c(C#N)c1C.
What is the InChIKey of 1-(3-bromophenyl)-4,5-dimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is GQKJISANDXNLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O/c1-9-8-17(12-5-3-4-11(15)6-12)14(18)13(7-16)10(9)2/h3-6,8H,1-2H3.
What are the key properties of 1-(3-bromophenyl)-4,5-dimethyl-2-oxopyridine-3-carbonitrile?
1-(3-bromophenyl)-4,5-dimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 303.16 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-4,5-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 82124754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).