5-chloro-3-methoxy-6-(4-methylphenyl)pyridine-2-carbonitrile

C14H11ClN2O — CID 144996820

IUPAC5-chloro-3-methoxy-6-(4-methylphenyl)pyridine-2-carbonitrile
SMILESCOc1cc(Cl)c(-c2ccc(C)cc2)nc1C#N
InChIInChI=1S/C14H11ClN2O/c1-9-3-5-10(6-4-9)14-11(15)7-13(18-2)12(8-16)17-14/h3-7H,1-2H3
InChIKeyULWWAMXVMCRTEO-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.59
Rot. Bonds2

About 5-chloro-3-methoxy-6-(4-methylphenyl)pyridine-2-carbonitrile

5-chloro-3-methoxy-6-(4-methylphenyl)pyridine-2-carbonitrile (PubChem CID 144996820) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is 5-chloro-3-methoxy-6-(4-methylphenyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-chloro-3-methoxy-6-(4-methylphenyl)pyridine-2-carbonitrile
PubChem CID144996820
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name5-chloro-3-methoxy-6-(4-methylphenyl)pyridine-2-carbonitrile
SMILESCOc1cc(Cl)c(-c2ccc(C)cc2)nc1C#N
InChIInChI=1S/C14H11ClN2O/c1-9-3-5-10(6-4-9)14-11(15)7-13(18-2)12(8-16)17-14/h3-7H,1-2H3
InChIKeyULWWAMXVMCRTEO-UHFFFAOYSA-N
XLogP3.59
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methoxy-6-(4-methylphenyl)pyridine-2-carbonitrile?
The IUPAC name of 5-chloro-3-methoxy-6-(4-methylphenyl)pyridine-2-carbonitrile (CID 144996820) is 5-chloro-3-methoxy-6-(4-methylphenyl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-chloro-3-methoxy-6-(4-methylphenyl)pyridine-2-carbonitrile?
The canonical SMILES for 5-chloro-3-methoxy-6-(4-methylphenyl)pyridine-2-carbonitrile is COc1cc(Cl)c(-c2ccc(C)cc2)nc1C#N.
What is the InChIKey of 5-chloro-3-methoxy-6-(4-methylphenyl)pyridine-2-carbonitrile?
The InChIKey is ULWWAMXVMCRTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c1-9-3-5-10(6-4-9)14-11(15)7-13(18-2)12(8-16)17-14/h3-7H,1-2H3.
What are the key properties of 5-chloro-3-methoxy-6-(4-methylphenyl)pyridine-2-carbonitrile?
5-chloro-3-methoxy-6-(4-methylphenyl)pyridine-2-carbonitrile has a molecular weight of 258.71 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methoxy-6-(4-methylphenyl)pyridine-2-carbonitrile is sourced from PubChem (CID 144996820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).