2-[(3-chlorophenyl)methoxy]-6-methylpyridine-4-carbonitrile

C14H11ClN2O — CID 15949470

IUPAC2-[(3-chlorophenyl)methoxy]-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(OCc2cccc(Cl)c2)n1
InChIInChI=1S/C14H11ClN2O/c1-10-5-12(8-16)7-14(17-10)18-9-11-3-2-4-13(15)6-11/h2-7H,9H2,1H3
InChIKeyXDGUYOFWWFFLND-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.49
Rot. Bonds3

About 2-[(3-chlorophenyl)methoxy]-6-methylpyridine-4-carbonitrile

2-[(3-chlorophenyl)methoxy]-6-methylpyridine-4-carbonitrile (PubChem CID 15949470) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methoxy]-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methoxy]-6-methylpyridine-4-carbonitrile
PubChem CID15949470
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name2-[(3-chlorophenyl)methoxy]-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(OCc2cccc(Cl)c2)n1
InChIInChI=1S/C14H11ClN2O/c1-10-5-12(8-16)7-14(17-10)18-9-11-3-2-4-13(15)6-11/h2-7H,9H2,1H3
InChIKeyXDGUYOFWWFFLND-UHFFFAOYSA-N
XLogP3.49
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methoxy]-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-[(3-chlorophenyl)methoxy]-6-methylpyridine-4-carbonitrile (CID 15949470) is 2-[(3-chlorophenyl)methoxy]-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-[(3-chlorophenyl)methoxy]-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-[(3-chlorophenyl)methoxy]-6-methylpyridine-4-carbonitrile is Cc1cc(C#N)cc(OCc2cccc(Cl)c2)n1.
What is the InChIKey of 2-[(3-chlorophenyl)methoxy]-6-methylpyridine-4-carbonitrile?
The InChIKey is XDGUYOFWWFFLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c1-10-5-12(8-16)7-14(17-10)18-9-11-3-2-4-13(15)6-11/h2-7H,9H2,1H3.
What are the key properties of 2-[(3-chlorophenyl)methoxy]-6-methylpyridine-4-carbonitrile?
2-[(3-chlorophenyl)methoxy]-6-methylpyridine-4-carbonitrile has a molecular weight of 258.71 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methoxy]-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 15949470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).