4-[(2-acetylphenoxy)methyl]pyridine-2-carbonitrile

C15H12N2O2 — CID 63882534

IUPAC4-[(2-acetylphenoxy)methyl]pyridine-2-carbonitrile
SMILESCC(=O)c1ccccc1OCc1ccnc(C#N)c1
InChIInChI=1S/C15H12N2O2/c1-11(18)14-4-2-3-5-15(14)19-10-12-6-7-17-13(8-12)9-16/h2-8H,10H2,1H3
InChIKeyFCYOLZWOWDJXJM-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.73
Rot. Bonds4

About 4-[(2-acetylphenoxy)methyl]pyridine-2-carbonitrile

4-[(2-acetylphenoxy)methyl]pyridine-2-carbonitrile (PubChem CID 63882534) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-[(2-acetylphenoxy)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(2-acetylphenoxy)methyl]pyridine-2-carbonitrile
PubChem CID63882534
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name4-[(2-acetylphenoxy)methyl]pyridine-2-carbonitrile
SMILESCC(=O)c1ccccc1OCc1ccnc(C#N)c1
InChIInChI=1S/C15H12N2O2/c1-11(18)14-4-2-3-5-15(14)19-10-12-6-7-17-13(8-12)9-16/h2-8H,10H2,1H3
InChIKeyFCYOLZWOWDJXJM-UHFFFAOYSA-N
XLogP2.73
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-acetyl-5-methylphenoxy)methyl]pyridine-2-carbonitrile
CID 63883310
4-[(2-ethoxyphenoxy)methyl]pyridine-2-carbonitrile
CID 63883843
4-[[2-(2-hydroxyethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 107712438
4-[[2-(aminomethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63887638
4-[[2-(2-aminoethyl)phenoxy]methyl]pyridine-2-carbonitrile
CID 63882198
4-[(2,3-dichlorophenoxy)methyl]pyridine-2-carbonitrile
CID 63884434
4-[[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]methyl]pyridine-2-carbonitrile
CID 77010442
3-[(2-cyano-4-pyridinyl)methoxy]thiophene-2-carboxylic acid
CID 63889212
4-[(2-cyano-4-pyridinyl)methoxy]-2-methylbenzoic acid
CID 107671245
4-[(4-hydroxyphenoxy)methyl]pyridine-2-carbonitrile
CID 63882551
3-[(2-cyano-4-pyridinyl)methoxy]benzoic acid
CID 63888033
(2-cyano-4-pyridinyl)methyl 2-amino-6-methoxybenzoate
CID 81395074

Frequently Asked Questions

What is the IUPAC name of 4-[(2-acetylphenoxy)methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(2-acetylphenoxy)methyl]pyridine-2-carbonitrile (CID 63882534) is 4-[(2-acetylphenoxy)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(2-acetylphenoxy)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(2-acetylphenoxy)methyl]pyridine-2-carbonitrile is CC(=O)c1ccccc1OCc1ccnc(C#N)c1.
What is the InChIKey of 4-[(2-acetylphenoxy)methyl]pyridine-2-carbonitrile?
The InChIKey is FCYOLZWOWDJXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-11(18)14-4-2-3-5-15(14)19-10-12-6-7-17-13(8-12)9-16/h2-8H,10H2,1H3.
What are the key properties of 4-[(2-acetylphenoxy)methyl]pyridine-2-carbonitrile?
4-[(2-acetylphenoxy)methyl]pyridine-2-carbonitrile has a molecular weight of 252.27 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-acetylphenoxy)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63882534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).