1-(3-bromo-4-methylphenyl)-4-methyl-2-oxopyridine-3-carbonitrile

C14H11BrN2O — CID 82124750

IUPAC1-(3-bromo-4-methylphenyl)-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCc1ccc(-n2ccc(C)c(C#N)c2=O)cc1Br
InChIInChI=1S/C14H11BrN2O/c1-9-5-6-17(14(18)12(9)8-16)11-4-3-10(2)13(15)7-11/h3-7H,1-2H3
InChIKeyILROCNNUYMITTD-UHFFFAOYSA-N
MW303.16 g/mol
LogP3.09
Rot. Bonds1

About 1-(3-bromo-4-methylphenyl)-4-methyl-2-oxopyridine-3-carbonitrile

1-(3-bromo-4-methylphenyl)-4-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 82124750) has the molecular formula C14H11BrN2O and a molecular weight of 303.16 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-4-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-4-methyl-2-oxopyridine-3-carbonitrile
PubChem CID82124750
Molecular FormulaC14H11BrN2O
Molecular Weight303.16 g/mol
Exact Mass302.01
IUPAC Name1-(3-bromo-4-methylphenyl)-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCc1ccc(-n2ccc(C)c(C#N)c2=O)cc1Br
InChIInChI=1S/C14H11BrN2O/c1-9-5-6-17(14(18)12(9)8-16)11-4-3-10(2)13(15)7-11/h3-7H,1-2H3
InChIKeyILROCNNUYMITTD-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-(3-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 82117384
1-(4-ethylphenyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 82117100
1-(2,4-dimethylphenyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 82117088
1-(3-bromophenyl)-4,5-dimethyl-2-oxopyridine-3-carbonitrile
CID 82124754
1-(2-methoxyphenyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 82117382
4-methoxy-2-oxo-1-phenylpyridine-3-carbonitrile
CID 134852331
4-(dimethylamino)-2-oxo-1-phenylpyridine-3-carbonitrile
CID 13182728
4-methyl-2-oxo-1-propylpyridine-3-carbonitrile
CID 82111413
2-[1-(3-bromo-4-methylphenyl)imidazol-2-yl]sulfanylacetonitrile
CID 82135266
1-(3-bromo-4-methylphenyl)-2-methyl-5-oxopyrrolidine-3-carbonitrile
CID 117022358
4-methyl-1-(methylsulfanylmethyl)-2-oxopyridine-3-carbonitrile
CID 126997451
1-(3-amino-4-methylphenyl)-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 57315076

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-4-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-4-methyl-2-oxopyridine-3-carbonitrile (CID 82124750) is 1-(3-bromo-4-methylphenyl)-4-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-4-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-4-methyl-2-oxopyridine-3-carbonitrile is Cc1ccc(-n2ccc(C)c(C#N)c2=O)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-4-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is ILROCNNUYMITTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O/c1-9-5-6-17(14(18)12(9)8-16)11-4-3-10(2)13(15)7-11/h3-7H,1-2H3.
What are the key properties of 1-(3-bromo-4-methylphenyl)-4-methyl-2-oxopyridine-3-carbonitrile?
1-(3-bromo-4-methylphenyl)-4-methyl-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-bromo-4-methylphenyl)-4-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 82124750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).