4-(3-bromo-5-ethyl-2-hydroxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

C15H13BrN2O2 — CID 168584615

IUPAC4-(3-bromo-5-ethyl-2-hydroxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCc1cc(Br)c(O)c(-c2cc(C)[nH]c(=O)c2C#N)c1
InChIInChI=1S/C15H13BrN2O2/c1-3-9-5-11(14(19)13(16)6-9)10-4-8(2)18-15(20)12(10)7-17/h4-6,19H,3H2,1-2H3,(H,18,20)
InChIKeyACOIHJYVLFCQFG-UHFFFAOYSA-N
MW333.19 g/mol
LogP3.25
Rot. Bonds2

About 4-(3-bromo-5-ethyl-2-hydroxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

4-(3-bromo-5-ethyl-2-hydroxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 168584615) has the molecular formula C15H13BrN2O2 and a molecular weight of 333.19 g/mol. Its IUPAC name is 4-(3-bromo-5-ethyl-2-hydroxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(3-bromo-5-ethyl-2-hydroxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID168584615
Molecular FormulaC15H13BrN2O2
Molecular Weight333.19 g/mol
Exact Mass332.02
IUPAC Name4-(3-bromo-5-ethyl-2-hydroxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCCc1cc(Br)c(O)c(-c2cc(C)[nH]c(=O)c2C#N)c1
InChIInChI=1S/C15H13BrN2O2/c1-3-9-5-11(14(19)13(16)6-9)10-4-8(2)18-15(20)12(10)7-17/h4-6,19H,3H2,1-2H3,(H,18,20)
InChIKeyACOIHJYVLFCQFG-UHFFFAOYSA-N
XLogP3.25
TPSA76.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-oxo-4-(2,4,6-triethylphenyl)-1H-pyridine-3-carbonitrile
CID 168586371
4-(3,5-dibromo-2-hydroxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584611
4-(5-bromo-2-hydroxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584607
4-[2-hydroxy-5-(hydroxymethyl)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586527
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-(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-(2-bromo-5-chlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584524
4-(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586305
4-(4-bromophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 947694
4-(3-bromo-4,5-diethoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587101

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-5-ethyl-2-hydroxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(3-bromo-5-ethyl-2-hydroxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 168584615) is 4-(3-bromo-5-ethyl-2-hydroxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(3-bromo-5-ethyl-2-hydroxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(3-bromo-5-ethyl-2-hydroxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is CCc1cc(Br)c(O)c(-c2cc(C)[nH]c(=O)c2C#N)c1.
What is the InChIKey of 4-(3-bromo-5-ethyl-2-hydroxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is ACOIHJYVLFCQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2/c1-3-9-5-11(14(19)13(16)6-9)10-4-8(2)18-15(20)12(10)7-17/h4-6,19H,3H2,1-2H3,(H,18,20).
What are the key properties of 4-(3-bromo-5-ethyl-2-hydroxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
4-(3-bromo-5-ethyl-2-hydroxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 333.19 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-5-ethyl-2-hydroxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 168584615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).