2-(3-acetylphenoxy)pyridine-3-carbonitrile

C14H10N2O2 — CID 18194838

IUPAC2-(3-acetylphenoxy)pyridine-3-carbonitrile
SMILESCC(=O)c1cccc(Oc2ncccc2C#N)c1
InChIInChI=1S/C14H10N2O2/c1-10(17)11-4-2-6-13(8-11)18-14-12(9-15)5-3-7-16-14/h2-8H,1H3
InChIKeyXGXKOGCYWNIIRU-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.95
Rot. Bonds3

About 2-(3-acetylphenoxy)pyridine-3-carbonitrile

2-(3-acetylphenoxy)pyridine-3-carbonitrile (PubChem CID 18194838) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-(3-acetylphenoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3-acetylphenoxy)pyridine-3-carbonitrile
PubChem CID18194838
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name2-(3-acetylphenoxy)pyridine-3-carbonitrile
SMILESCC(=O)c1cccc(Oc2ncccc2C#N)c1
InChIInChI=1S/C14H10N2O2/c1-10(17)11-4-2-6-13(8-11)18-14-12(9-15)5-3-7-16-14/h2-8H,1H3
InChIKeyXGXKOGCYWNIIRU-UHFFFAOYSA-N
XLogP2.95
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(3-cyano-2-pyridinyl)oxy]benzoate
CID 18194841
2-(3-cyanophenoxy)pyridine-3-carbonitrile
CID 24692068
2-(3,5-dimethylphenoxy)pyridine-3-carbonitrile
CID 24709601
methyl 4-[(3-cyano-2-pyridinyl)oxy]-2-methoxybenzoate
CID 122145206
2-(4-chloro-3-ethylphenoxy)pyridine-3-carbonitrile
CID 43212993
2-[4-(aminomethyl)phenoxy]pyridine-3-carbonitrile
CID 106485600
4-acetyl-2-(3-chlorophenoxy)benzonitrile
CID 146268738
4-(3-acetylphenoxy)-3,5-dimethylbenzonitrile
CID 79167595
3-[(3-nitro-2-pyridinyl)oxy]benzoic acid
CID 55138995
4-(3-acetylphenoxy)-5-nitrobenzene-1,2-dicarbonitrile
CID 4606659
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-4,4,4-trifluorobutanamide
CID 122142915
3-[(3-hydroxy-2-pyridinyl)oxy]benzonitrile
CID 23506220

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenoxy)pyridine-3-carbonitrile?
The IUPAC name of 2-(3-acetylphenoxy)pyridine-3-carbonitrile (CID 18194838) is 2-(3-acetylphenoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(3-acetylphenoxy)pyridine-3-carbonitrile?
The canonical SMILES for 2-(3-acetylphenoxy)pyridine-3-carbonitrile is CC(=O)c1cccc(Oc2ncccc2C#N)c1.
What is the InChIKey of 2-(3-acetylphenoxy)pyridine-3-carbonitrile?
The InChIKey is XGXKOGCYWNIIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c1-10(17)11-4-2-6-13(8-11)18-14-12(9-15)5-3-7-16-14/h2-8H,1H3.
What are the key properties of 2-(3-acetylphenoxy)pyridine-3-carbonitrile?
2-(3-acetylphenoxy)pyridine-3-carbonitrile has a molecular weight of 238.25 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 18194838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).