2-[4-(cyanomethyl)phenoxy]-6-methylpyridine-4-carbonitrile

C15H11N3O — CID 114766790

IUPAC2-[4-(cyanomethyl)phenoxy]-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(Oc2ccc(CC#N)cc2)n1
InChIInChI=1S/C15H11N3O/c1-11-8-13(10-17)9-15(18-11)19-14-4-2-12(3-5-14)6-7-16/h2-5,8-9H,6H2,1H3
InChIKeyZCELGMOAAKYPLZ-UHFFFAOYSA-N
MW249.27 g/mol
LogP3.12
Rot. Bonds3

About 2-[4-(cyanomethyl)phenoxy]-6-methylpyridine-4-carbonitrile

2-[4-(cyanomethyl)phenoxy]-6-methylpyridine-4-carbonitrile (PubChem CID 114766790) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-[4-(cyanomethyl)phenoxy]-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-(cyanomethyl)phenoxy]-6-methylpyridine-4-carbonitrile
PubChem CID114766790
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name2-[4-(cyanomethyl)phenoxy]-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(Oc2ccc(CC#N)cc2)n1
InChIInChI=1S/C15H11N3O/c1-11-8-13(10-17)9-15(18-11)19-14-4-2-12(3-5-14)6-7-16/h2-5,8-9H,6H2,1H3
InChIKeyZCELGMOAAKYPLZ-UHFFFAOYSA-N
XLogP3.12
TPSA69.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyanomethyl)phenoxy]-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-[4-(cyanomethyl)phenoxy]-6-methylpyridine-4-carbonitrile (CID 114766790) is 2-[4-(cyanomethyl)phenoxy]-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-(cyanomethyl)phenoxy]-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-[4-(cyanomethyl)phenoxy]-6-methylpyridine-4-carbonitrile is Cc1cc(C#N)cc(Oc2ccc(CC#N)cc2)n1.
What is the InChIKey of 2-[4-(cyanomethyl)phenoxy]-6-methylpyridine-4-carbonitrile?
The InChIKey is ZCELGMOAAKYPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O/c1-11-8-13(10-17)9-15(18-11)19-14-4-2-12(3-5-14)6-7-16/h2-5,8-9H,6H2,1H3.
What are the key properties of 2-[4-(cyanomethyl)phenoxy]-6-methylpyridine-4-carbonitrile?
2-[4-(cyanomethyl)phenoxy]-6-methylpyridine-4-carbonitrile has a molecular weight of 249.27 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyanomethyl)phenoxy]-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 114766790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).