4-[(2-acetyl-5-methylphenoxy)methyl]pyridine-2-carbonitrile

C16H14N2O2 — CID 63883310

IUPAC4-[(2-acetyl-5-methylphenoxy)methyl]pyridine-2-carbonitrile
SMILESCC(=O)c1ccc(C)cc1OCc1ccnc(C#N)c1
InChIInChI=1S/C16H14N2O2/c1-11-3-4-15(12(2)19)16(7-11)20-10-13-5-6-18-14(8-13)9-17/h3-8H,10H2,1-2H3
InChIKeyOVJNAOFJINGBTJ-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.04
Rot. Bonds4

About 4-[(2-acetyl-5-methylphenoxy)methyl]pyridine-2-carbonitrile

4-[(2-acetyl-5-methylphenoxy)methyl]pyridine-2-carbonitrile (PubChem CID 63883310) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-[(2-acetyl-5-methylphenoxy)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(2-acetyl-5-methylphenoxy)methyl]pyridine-2-carbonitrile
PubChem CID63883310
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name4-[(2-acetyl-5-methylphenoxy)methyl]pyridine-2-carbonitrile
SMILESCC(=O)c1ccc(C)cc1OCc1ccnc(C#N)c1
InChIInChI=1S/C16H14N2O2/c1-11-3-4-15(12(2)19)16(7-11)20-10-13-5-6-18-14(8-13)9-17/h3-8H,10H2,1-2H3
InChIKeyOVJNAOFJINGBTJ-UHFFFAOYSA-N
XLogP3.04
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-acetylphenoxy)methyl]pyridine-2-carbonitrile
CID 63882534
4-[[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]methyl]pyridine-2-carbonitrile
CID 77010442
4-[[2-[(1S)-1-aminoethyl]-5-methylphenoxy]methyl]pyridine-2-carbonitrile
CID 78953385
4-[[2-[(1R)-1-aminoethyl]-5-methylphenoxy]methyl]pyridine-2-carbonitrile
CID 63888861
4-[(2-cyano-4-pyridinyl)methoxy]-2-methylbenzoic acid
CID 107671245
1-[2-[(3-chlorophenyl)methoxy]-4-methylphenyl]ethanone
CID 60701262
1-[4-methyl-2-[(4-nitrophenyl)methoxy]phenyl]ethanone
CID 60701241
4-[(2-ethoxyphenoxy)methyl]pyridine-2-carbonitrile
CID 63883843
3-[(2-cyano-4-pyridinyl)methoxy]thiophene-2-carboxylic acid
CID 63889212
4-[(4-hydroxyphenoxy)methyl]pyridine-2-carbonitrile
CID 63882551
4-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyridine-2-carbonitrile
CID 63885020
4-[(2,5-dimethyl-4-nitrophenoxy)methyl]pyridine-2-carbonitrile
CID 63884634

Frequently Asked Questions

What is the IUPAC name of 4-[(2-acetyl-5-methylphenoxy)methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(2-acetyl-5-methylphenoxy)methyl]pyridine-2-carbonitrile (CID 63883310) is 4-[(2-acetyl-5-methylphenoxy)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(2-acetyl-5-methylphenoxy)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(2-acetyl-5-methylphenoxy)methyl]pyridine-2-carbonitrile is CC(=O)c1ccc(C)cc1OCc1ccnc(C#N)c1.
What is the InChIKey of 4-[(2-acetyl-5-methylphenoxy)methyl]pyridine-2-carbonitrile?
The InChIKey is OVJNAOFJINGBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-11-3-4-15(12(2)19)16(7-11)20-10-13-5-6-18-14(8-13)9-17/h3-8H,10H2,1-2H3.
What are the key properties of 4-[(2-acetyl-5-methylphenoxy)methyl]pyridine-2-carbonitrile?
4-[(2-acetyl-5-methylphenoxy)methyl]pyridine-2-carbonitrile has a molecular weight of 266.30 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-acetyl-5-methylphenoxy)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63883310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).