5-acetyl-6-methyl-2-phenoxypyridine-3-carbonitrile

C15H12N2O2 — CID 1471671

IUPAC5-acetyl-6-methyl-2-phenoxypyridine-3-carbonitrile
SMILESCC(=O)c1cc(C#N)c(Oc2ccccc2)nc1C
InChIInChI=1S/C15H12N2O2/c1-10-14(11(2)18)8-12(9-16)15(17-10)19-13-6-4-3-5-7-13/h3-8H,1-2H3
InChIKeyMZNPOCVDSDRZBS-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.26
Rot. Bonds3

About 5-acetyl-6-methyl-2-phenoxypyridine-3-carbonitrile

5-acetyl-6-methyl-2-phenoxypyridine-3-carbonitrile (PubChem CID 1471671) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 5-acetyl-6-methyl-2-phenoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name5-acetyl-6-methyl-2-phenoxypyridine-3-carbonitrile
PubChem CID1471671
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name5-acetyl-6-methyl-2-phenoxypyridine-3-carbonitrile
SMILESCC(=O)c1cc(C#N)c(Oc2ccccc2)nc1C
InChIInChI=1S/C15H12N2O2/c1-10-14(11(2)18)8-12(9-16)15(17-10)19-13-6-4-3-5-7-13/h3-8H,1-2H3
InChIKeyMZNPOCVDSDRZBS-UHFFFAOYSA-N
XLogP3.26
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Acetyl-2-methyl-5H-[1]benzopyrano[2,3-b]pyridin-5-one
CID 617281
4,6-Dimethyl-2-phenoxy-nicotinonitrile
CID 946983
2-benzyloxy-7,8-dihydro-6H-quinolin-5-one
CID 10444977
4,6-Dimethyl-2-(2-oxo-2-phenylethoxy)pyridine-3-carbonitrile
CID 661430
2-[2-(4-Methoxyphenyl)-2-oxoethoxy]-4,6-dimethylpyridine-3-carbonitrile
CID 950785
Methyl 5-cyano-6-(4-fluorophenoxy)-2-methylnicotinate
CID 1471656
Methyl 5-cyano-6-(4-methoxyphenoxy)-2-methylpyridine-3-carboxylate
CID 1471658
Methyl 5-cyano-6-isopropoxy-2-methylnicotinate
CID 1471659
5-Acetyl-2-(2-methoxyphenoxy)-6-methylnicotinonitrile
CID 1471701
5-Acetyl-2-(3,5-dimethylphenoxy)-6-methylnicotinonitrile
CID 1471702
Ethyl 5-cyano-6-(4-fluorophenoxy)-2-phenylnicotinate
CID 2769128
4,6-Dimethyl-2-[2-(4-methylphenyl)-2-oxoethoxy]pyridine-3-carbonitrile
CID 951167

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-6-methyl-2-phenoxypyridine-3-carbonitrile?
The IUPAC name of 5-acetyl-6-methyl-2-phenoxypyridine-3-carbonitrile (CID 1471671) is 5-acetyl-6-methyl-2-phenoxypyridine-3-carbonitrile.
What is the SMILES notation for 5-acetyl-6-methyl-2-phenoxypyridine-3-carbonitrile?
The canonical SMILES for 5-acetyl-6-methyl-2-phenoxypyridine-3-carbonitrile is CC(=O)c1cc(C#N)c(Oc2ccccc2)nc1C.
What is the InChIKey of 5-acetyl-6-methyl-2-phenoxypyridine-3-carbonitrile?
The InChIKey is MZNPOCVDSDRZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-10-14(11(2)18)8-12(9-16)15(17-10)19-13-6-4-3-5-7-13/h3-8H,1-2H3.
What are the key properties of 5-acetyl-6-methyl-2-phenoxypyridine-3-carbonitrile?
5-acetyl-6-methyl-2-phenoxypyridine-3-carbonitrile has a molecular weight of 252.27 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-6-methyl-2-phenoxypyridine-3-carbonitrile is sourced from PubChem (CID 1471671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).