2-chloro-6-(1-cyclopropylethylamino)pyridine-4-carbonitrile

C11H12ClN3 — CID 83072956

IUPAC2-chloro-6-(1-cyclopropylethylamino)pyridine-4-carbonitrile
SMILESCC(Nc1cc(C#N)cc(Cl)n1)C1CC1
InChIInChI=1S/C11H12ClN3/c1-7(9-2-3-9)14-11-5-8(6-13)4-10(12)15-11/h4-5,7,9H,2-3H2,1H3,(H,14,15)
InChIKeyVBQLJYQRCDVHFE-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.82
Rot. Bonds3

About 2-chloro-6-(1-cyclopropylethylamino)pyridine-4-carbonitrile

2-chloro-6-(1-cyclopropylethylamino)pyridine-4-carbonitrile (PubChem CID 83072956) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 2-chloro-6-(1-cyclopropylethylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-(1-cyclopropylethylamino)pyridine-4-carbonitrile
PubChem CID83072956
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name2-chloro-6-(1-cyclopropylethylamino)pyridine-4-carbonitrile
SMILESCC(Nc1cc(C#N)cc(Cl)n1)C1CC1
InChIInChI=1S/C11H12ClN3/c1-7(9-2-3-9)14-11-5-8(6-13)4-10(12)15-11/h4-5,7,9H,2-3H2,1H3,(H,14,15)
InChIKeyVBQLJYQRCDVHFE-UHFFFAOYSA-N
XLogP2.82
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-6-(1-cyclopropylethylamino)pyridine-4-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 2-chloro-6-(1-cyclopropylethylamino)pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-(1-cyclopropylethylamino)pyridine-4-carbonitrile (CID 83072956) is 2-chloro-6-(1-cyclopropylethylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-(1-cyclopropylethylamino)pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-(1-cyclopropylethylamino)pyridine-4-carbonitrile is CC(Nc1cc(C#N)cc(Cl)n1)C1CC1.
What is the InChIKey of 2-chloro-6-(1-cyclopropylethylamino)pyridine-4-carbonitrile?
The InChIKey is VBQLJYQRCDVHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c1-7(9-2-3-9)14-11-5-8(6-13)4-10(12)15-11/h4-5,7,9H,2-3H2,1H3,(H,14,15).
What are the key properties of 2-chloro-6-(1-cyclopropylethylamino)pyridine-4-carbonitrile?
2-chloro-6-(1-cyclopropylethylamino)pyridine-4-carbonitrile has a molecular weight of 221.69 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(1-cyclopropylethylamino)pyridine-4-carbonitrile is sourced from PubChem (CID 83072956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).