2-chloro-N,N-dimethylpyridine-3-carboxamide

C8H9ClN2O — CID 10965214

IUPAC2-chloro-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1cccnc1Cl
InChIInChI=1S/C8H9ClN2O/c1-11(2)8(12)6-4-3-5-10-7(6)9/h3-5H,1-2H3
InChIKeyQNZRJGJNLOMEGJ-UHFFFAOYSA-N
MW184.63 g/mol
LogP1.44
Rot. Bonds1

About 2-chloro-N,N-dimethylpyridine-3-carboxamide

2-chloro-N,N-dimethylpyridine-3-carboxamide (PubChem CID 10965214) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is 2-chloro-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N,N-dimethylpyridine-3-carboxamide
PubChem CID10965214
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC Name2-chloro-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1cccnc1Cl
InChIInChI=1S/C8H9ClN2O/c1-11(2)8(12)6-4-3-5-10-7(6)9/h3-5H,1-2H3
InChIKeyQNZRJGJNLOMEGJ-UHFFFAOYSA-N
XLogP1.44
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-N,N-dimethylpyridine-3-carboxamide 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-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-chloro-N,N-dimethylpyridine-3-carboxamide (CID 10965214) is 2-chloro-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N,N-dimethylpyridine-3-carboxamide is CN(C)C(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is QNZRJGJNLOMEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O/c1-11(2)8(12)6-4-3-5-10-7(6)9/h3-5H,1-2H3.
What are the key properties of 2-chloro-N,N-dimethylpyridine-3-carboxamide?
2-chloro-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 184.63 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 10965214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).