5-cyclopropyl-3-methoxypyridine-2-carbonitrile

C10H10N2O — CID 122505651

IUPAC5-cyclopropyl-3-methoxypyridine-2-carbonitrile
SMILESCOc1cc(C2CC2)cnc1C#N
InChIInChI=1S/C10H10N2O/c1-13-10-4-8(7-2-3-7)6-12-9(10)5-11/h4,6-7H,2-3H2,1H3
InChIKeyZKJRNERUCPFEEW-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.84
Rot. Bonds2

About 5-cyclopropyl-3-methoxypyridine-2-carbonitrile

5-cyclopropyl-3-methoxypyridine-2-carbonitrile (PubChem CID 122505651) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 5-cyclopropyl-3-methoxypyridine-2-carbonitrile.

Molecular Properties

Compound Name5-cyclopropyl-3-methoxypyridine-2-carbonitrile
PubChem CID122505651
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name5-cyclopropyl-3-methoxypyridine-2-carbonitrile
SMILESCOc1cc(C2CC2)cnc1C#N
InChIInChI=1S/C10H10N2O/c1-13-10-4-8(7-2-3-7)6-12-9(10)5-11/h4,6-7H,2-3H2,1H3
InChIKeyZKJRNERUCPFEEW-UHFFFAOYSA-N
XLogP1.84
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-cyclopropyl-3-methoxypyridine-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-cyclopropyl-3-methoxypyridine-2-carbonitrile?
The IUPAC name of 5-cyclopropyl-3-methoxypyridine-2-carbonitrile (CID 122505651) is 5-cyclopropyl-3-methoxypyridine-2-carbonitrile.
What is the SMILES notation for 5-cyclopropyl-3-methoxypyridine-2-carbonitrile?
The canonical SMILES for 5-cyclopropyl-3-methoxypyridine-2-carbonitrile is COc1cc(C2CC2)cnc1C#N.
What is the InChIKey of 5-cyclopropyl-3-methoxypyridine-2-carbonitrile?
The InChIKey is ZKJRNERUCPFEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-13-10-4-8(7-2-3-7)6-12-9(10)5-11/h4,6-7H,2-3H2,1H3.
What are the key properties of 5-cyclopropyl-3-methoxypyridine-2-carbonitrile?
5-cyclopropyl-3-methoxypyridine-2-carbonitrile has a molecular weight of 174.20 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-methoxypyridine-2-carbonitrile is sourced from PubChem (CID 122505651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).