6-chloro-N,N-dimethylpyridine-2-carboxamide

C8H9ClN2O — CID 19010919

IUPAC6-chloro-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1cccc(Cl)n1
InChIInChI=1S/C8H9ClN2O/c1-11(2)8(12)6-4-3-5-7(9)10-6/h3-5H,1-2H3
InChIKeyCNCWTWVWSPMBLK-UHFFFAOYSA-N
MW184.63 g/mol
LogP1.44
Rot. Bonds1

About 6-chloro-N,N-dimethylpyridine-2-carboxamide

6-chloro-N,N-dimethylpyridine-2-carboxamide (PubChem CID 19010919) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is 6-chloro-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N,N-dimethylpyridine-2-carboxamide
PubChem CID19010919
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC Name6-chloro-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1cccc(Cl)n1
InChIInChI=1S/C8H9ClN2O/c1-11(2)8(12)6-4-3-5-7(9)10-6/h3-5H,1-2H3
InChIKeyCNCWTWVWSPMBLK-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'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 6-chloro-N,N-dimethylpyridine-2-carboxamide (CID 19010919) is 6-chloro-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N,N-dimethylpyridine-2-carboxamide is CN(C)C(=O)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is CNCWTWVWSPMBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O/c1-11(2)8(12)6-4-3-5-7(9)10-6/h3-5H,1-2H3.
What are the key properties of 6-chloro-N,N-dimethylpyridine-2-carboxamide?
6-chloro-N,N-dimethylpyridine-2-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 6-chloro-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 19010919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).