2-chloro-6-(2-methoxyethylamino)-4-methylpyridine-3-carbonitrile

C10H12ClN3O — CID 22163039

IUPAC2-chloro-6-(2-methoxyethylamino)-4-methylpyridine-3-carbonitrile
SMILESCOCCNc1cc(C)c(C#N)c(Cl)n1
InChIInChI=1S/C10H12ClN3O/c1-7-5-9(13-3-4-15-2)14-10(11)8(7)6-12/h5H,3-4H2,1-2H3,(H,13,14)
InChIKeyMLQNCRIKIUHEBY-UHFFFAOYSA-N
MW225.68 g/mol
LogP1.97
Rot. Bonds4

About 2-chloro-6-(2-methoxyethylamino)-4-methylpyridine-3-carbonitrile

2-chloro-6-(2-methoxyethylamino)-4-methylpyridine-3-carbonitrile (PubChem CID 22163039) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is 2-chloro-6-(2-methoxyethylamino)-4-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-(2-methoxyethylamino)-4-methylpyridine-3-carbonitrile
PubChem CID22163039
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC Name2-chloro-6-(2-methoxyethylamino)-4-methylpyridine-3-carbonitrile
SMILESCOCCNc1cc(C)c(C#N)c(Cl)n1
InChIInChI=1S/C10H12ClN3O/c1-7-5-9(13-3-4-15-2)14-10(11)8(7)6-12/h5H,3-4H2,1-2H3,(H,13,14)
InChIKeyMLQNCRIKIUHEBY-UHFFFAOYSA-N
XLogP1.97
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-6-(2-methoxyethylamino)-4-methylpyridine-3-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-(2-methoxyethylamino)-4-methylpyridine-3-carbonitrile?
The IUPAC name of 2-chloro-6-(2-methoxyethylamino)-4-methylpyridine-3-carbonitrile (CID 22163039) is 2-chloro-6-(2-methoxyethylamino)-4-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-6-(2-methoxyethylamino)-4-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-6-(2-methoxyethylamino)-4-methylpyridine-3-carbonitrile is COCCNc1cc(C)c(C#N)c(Cl)n1.
What is the InChIKey of 2-chloro-6-(2-methoxyethylamino)-4-methylpyridine-3-carbonitrile?
The InChIKey is MLQNCRIKIUHEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O/c1-7-5-9(13-3-4-15-2)14-10(11)8(7)6-12/h5H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 2-chloro-6-(2-methoxyethylamino)-4-methylpyridine-3-carbonitrile?
2-chloro-6-(2-methoxyethylamino)-4-methylpyridine-3-carbonitrile has a molecular weight of 225.68 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-methoxyethylamino)-4-methylpyridine-3-carbonitrile is sourced from PubChem (CID 22163039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).