5-acetyl-2-(4-fluorophenoxy)-6-methylpyridine-3-carbonitrile

C15H11FN2O2 — CID 1471700

IUPAC5-acetyl-2-(4-fluorophenoxy)-6-methylpyridine-3-carbonitrile
SMILESCC(=O)c1cc(C#N)c(Oc2ccc(F)cc2)nc1C
InChIInChI=1S/C15H11FN2O2/c1-9-14(10(2)19)7-11(8-17)15(18-9)20-13-5-3-12(16)4-6-13/h3-7H,1-2H3
InChIKeyRXRRIHUKWFLDCE-UHFFFAOYSA-N
MW270.26 g/mol
LogP3.40
Rot. Bonds3

About 5-acetyl-2-(4-fluorophenoxy)-6-methylpyridine-3-carbonitrile

5-acetyl-2-(4-fluorophenoxy)-6-methylpyridine-3-carbonitrile (PubChem CID 1471700) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is 5-acetyl-2-(4-fluorophenoxy)-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-acetyl-2-(4-fluorophenoxy)-6-methylpyridine-3-carbonitrile
PubChem CID1471700
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC Name5-acetyl-2-(4-fluorophenoxy)-6-methylpyridine-3-carbonitrile
SMILESCC(=O)c1cc(C#N)c(Oc2ccc(F)cc2)nc1C
InChIInChI=1S/C15H11FN2O2/c1-9-14(10(2)19)7-11(8-17)15(18-9)20-13-5-3-12(16)4-6-13/h3-7H,1-2H3
InChIKeyRXRRIHUKWFLDCE-UHFFFAOYSA-N
XLogP3.40
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-Dimethyl-2-(2-oxo-2-phenylethoxy)pyridine-3-carbonitrile
CID 661430
2-(4-Fluorophenoxy)-4,6-dimethylpyridine-3-carbonitrile
CID 723818
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
(E)-3-(dimethylamino)-2-{[2-(3-fluorophenoxy)-3-pyridinyl]carbonyl}-2-propenenitrile
CID 5903782
Methyl 5-cyano-6-methoxy-2-methylnicotinate
CID 1471655
Methyl 5-cyano-6-(2-methoxyphenoxy)-2-methylnicotinate
CID 1471663

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-(4-fluorophenoxy)-6-methylpyridine-3-carbonitrile?
The IUPAC name of 5-acetyl-2-(4-fluorophenoxy)-6-methylpyridine-3-carbonitrile (CID 1471700) is 5-acetyl-2-(4-fluorophenoxy)-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 5-acetyl-2-(4-fluorophenoxy)-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 5-acetyl-2-(4-fluorophenoxy)-6-methylpyridine-3-carbonitrile is CC(=O)c1cc(C#N)c(Oc2ccc(F)cc2)nc1C.
What is the InChIKey of 5-acetyl-2-(4-fluorophenoxy)-6-methylpyridine-3-carbonitrile?
The InChIKey is RXRRIHUKWFLDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2/c1-9-14(10(2)19)7-11(8-17)15(18-9)20-13-5-3-12(16)4-6-13/h3-7H,1-2H3.
What are the key properties of 5-acetyl-2-(4-fluorophenoxy)-6-methylpyridine-3-carbonitrile?
5-acetyl-2-(4-fluorophenoxy)-6-methylpyridine-3-carbonitrile has a molecular weight of 270.26 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-(4-fluorophenoxy)-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 1471700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).