5-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile

C14H12N2O2 — CID 82117371

IUPAC5-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(OC)c(-c2cncc(C#N)c2)c1
InChIInChI=1S/C14H12N2O2/c1-17-12-3-4-14(18-2)13(6-12)11-5-10(7-15)8-16-9-11/h3-6,8-9H,1-2H3
InChIKeyIXLVYKMLSCMNQN-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.64
Rot. Bonds3

About 5-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile

5-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile (PubChem CID 82117371) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile
PubChem CID82117371
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name5-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(OC)c(-c2cncc(C#N)c2)c1
InChIInChI=1S/C14H12N2O2/c1-17-12-3-4-14(18-2)13(6-12)11-5-10(7-15)8-16-9-11/h3-6,8-9H,1-2H3
InChIKeyIXLVYKMLSCMNQN-UHFFFAOYSA-N
XLogP2.64
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 5-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile (CID 82117371) is 5-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 5-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile is COc1ccc(OC)c(-c2cncc(C#N)c2)c1.
What is the InChIKey of 5-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is IXLVYKMLSCMNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-17-12-3-4-14(18-2)13(6-12)11-5-10(7-15)8-16-9-11/h3-6,8-9H,1-2H3.
What are the key properties of 5-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile?
5-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 240.26 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 82117371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).