5-methoxy-4-(4-methyl-3-pyridinyl)pyridine-2-carbonitrile

C13H11N3O — CID 171091317

IUPAC5-methoxy-4-(4-methyl-3-pyridinyl)pyridine-2-carbonitrile
SMILESCOc1cnc(C#N)cc1-c1cnccc1C
InChIInChI=1S/C13H11N3O/c1-9-3-4-15-7-12(9)11-5-10(6-14)16-8-13(11)17-2/h3-5,7-8H,1-2H3
InChIKeyAUNLBMHKIQYHED-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.33
Rot. Bonds2

About 5-methoxy-4-(4-methyl-3-pyridinyl)pyridine-2-carbonitrile

5-methoxy-4-(4-methyl-3-pyridinyl)pyridine-2-carbonitrile (PubChem CID 171091317) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-methoxy-4-(4-methyl-3-pyridinyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-methoxy-4-(4-methyl-3-pyridinyl)pyridine-2-carbonitrile
PubChem CID171091317
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name5-methoxy-4-(4-methyl-3-pyridinyl)pyridine-2-carbonitrile
SMILESCOc1cnc(C#N)cc1-c1cnccc1C
InChIInChI=1S/C13H11N3O/c1-9-3-4-15-7-12(9)11-5-10(6-14)16-8-13(11)17-2/h3-5,7-8H,1-2H3
InChIKeyAUNLBMHKIQYHED-UHFFFAOYSA-N
XLogP2.33
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-methoxy-4-(4-methyl-3-pyridinyl)pyridine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(4-methyl-3-pyridinyl)pyridine-2-carbonitrile?
The IUPAC name of 5-methoxy-4-(4-methyl-3-pyridinyl)pyridine-2-carbonitrile (CID 171091317) is 5-methoxy-4-(4-methyl-3-pyridinyl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-methoxy-4-(4-methyl-3-pyridinyl)pyridine-2-carbonitrile?
The canonical SMILES for 5-methoxy-4-(4-methyl-3-pyridinyl)pyridine-2-carbonitrile is COc1cnc(C#N)cc1-c1cnccc1C.
What is the InChIKey of 5-methoxy-4-(4-methyl-3-pyridinyl)pyridine-2-carbonitrile?
The InChIKey is AUNLBMHKIQYHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-9-3-4-15-7-12(9)11-5-10(6-14)16-8-13(11)17-2/h3-5,7-8H,1-2H3.
What are the key properties of 5-methoxy-4-(4-methyl-3-pyridinyl)pyridine-2-carbonitrile?
5-methoxy-4-(4-methyl-3-pyridinyl)pyridine-2-carbonitrile has a molecular weight of 225.25 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(4-methyl-3-pyridinyl)pyridine-2-carbonitrile is sourced from PubChem (CID 171091317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).