4-(3,5-dibromo-2-hydroxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

C14H10Br2N2O2 — CID 168584611

IUPAC4-(3,5-dibromo-2-hydroxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2cc(Br)c(C)c(Br)c2O)c(C#N)c(=O)[nH]1
InChIInChI=1S/C14H10Br2N2O2/c1-6-3-8(10(5-17)14(20)18-6)9-4-11(15)7(2)12(16)13(9)19/h3-4,19H,1-2H3,(H,18,20)
InChIKeyLJVYDTOTISXTLF-UHFFFAOYSA-N
MW398.05 g/mol
LogP3.76
Rot. Bonds1

About 4-(3,5-dibromo-2-hydroxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

4-(3,5-dibromo-2-hydroxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 168584611) has the molecular formula C14H10Br2N2O2 and a molecular weight of 398.05 g/mol. Its IUPAC name is 4-(3,5-dibromo-2-hydroxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(3,5-dibromo-2-hydroxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID168584611
Molecular FormulaC14H10Br2N2O2
Molecular Weight398.05 g/mol
Exact Mass395.91
IUPAC Name4-(3,5-dibromo-2-hydroxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2cc(Br)c(C)c(Br)c2O)c(C#N)c(=O)[nH]1
InChIInChI=1S/C14H10Br2N2O2/c1-6-3-8(10(5-17)14(20)18-6)9-4-11(15)7(2)12(16)13(9)19/h3-4,19H,1-2H3,(H,18,20)
InChIKeyLJVYDTOTISXTLF-UHFFFAOYSA-N
XLogP3.76
TPSA76.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.05
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(3,5-dibromo-2-hydroxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(5-bromo-2-hydroxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584607
4-(3-bromo-5-ethyl-2-hydroxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584615
4-(4-hydroxy-3,5-dimethylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585362
4-(2-hydroxy-3,5-diiodophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584564
4-(2-bromo-5-chlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584524
4-(3-bromo-2-fluoro-5-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585178
4-(2-bromo-4-fluoro-5-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587182
4-(4-bromophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 947694
4-(3-bromo-4-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586138
4-(4-bromo-3-chlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587197
4-[2-hydroxy-5-(hydroxymethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586527
4-(6-bromo-2-hydroxynaphthalen-1-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586021

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dibromo-2-hydroxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(3,5-dibromo-2-hydroxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 168584611) is 4-(3,5-dibromo-2-hydroxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(3,5-dibromo-2-hydroxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(3,5-dibromo-2-hydroxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1cc(-c2cc(Br)c(C)c(Br)c2O)c(C#N)c(=O)[nH]1.
What is the InChIKey of 4-(3,5-dibromo-2-hydroxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is LJVYDTOTISXTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2N2O2/c1-6-3-8(10(5-17)14(20)18-6)9-4-11(15)7(2)12(16)13(9)19/h3-4,19H,1-2H3,(H,18,20).
What are the key properties of 4-(3,5-dibromo-2-hydroxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
4-(3,5-dibromo-2-hydroxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 398.05 g/mol, XLogP of 3.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dibromo-2-hydroxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 168584611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).