6-chloro-N-methyl-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide

C10H10ClF3N2O — CID 61381204

IUPAC6-chloro-N-methyl-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
SMILESCN(CCC(F)(F)F)C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C10H10ClF3N2O/c1-16(5-4-10(12,13)14)9(17)7-2-3-8(11)15-6-7/h2-3,6H,4-5H2,1H3
InChIKeyJFGUNJIQYUWIHL-UHFFFAOYSA-N
MW266.65 g/mol
LogP2.76
Rot. Bonds3

About 6-chloro-N-methyl-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide

6-chloro-N-methyl-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide (PubChem CID 61381204) has the molecular formula C10H10ClF3N2O and a molecular weight of 266.65 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-methyl-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
PubChem CID61381204
Molecular FormulaC10H10ClF3N2O
Molecular Weight266.65 g/mol
Exact Mass266.04
IUPAC Name6-chloro-N-methyl-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
SMILESCN(CCC(F)(F)F)C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C10H10ClF3N2O/c1-16(5-4-10(12,13)14)9(17)7-2-3-8(11)15-6-7/h2-3,6H,4-5H2,1H3
InChIKeyJFGUNJIQYUWIHL-UHFFFAOYSA-N
XLogP2.76
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.65
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-chloro-N-methyl-N-(3,3,3-trifluoropropyl)pyridine-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

Related Compounds

6-chloro-N-methyl-N-propylpyridine-3-carboxamide
CID 43271303
methyl 3-[(6-chloropyridine-3-carbonyl)-methylamino]propanoate
CID 55031186
6-chloro-N-[2-(4-fluorophenoxy)ethyl]-N-methylpyridine-3-carboxamide
CID 60676105
4-bromo-3-chloro-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
CID 80976268
6-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpyridine-3-carboxamide
CID 60675865
N-methyl-N-[2-[methyl-[6-(trifluoromethyl)pyridine-3-carbonyl]amino]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 112843302
5-(N'-hydroxycarbamimidoyl)-N-methyl-N-(3,3,3-trifluoropropyl)pyridine-2-carboxamide
CID 77073182
2-[(6-chloropyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258051
1-tert-butyl-N-methyl-N-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide
CID 86833630
6-chloro-N,N-dimethylpyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride
CID 159595421
3-fluoro-N,4-dimethyl-N-(3,3,3-trifluoropropyl)benzamide
CID 86833486
6-chloro-N-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 60631168

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-methyl-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide (CID 61381204) is 6-chloro-N-methyl-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-methyl-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-methyl-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide is CN(CCC(F)(F)F)C(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-methyl-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide?
The InChIKey is JFGUNJIQYUWIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2O/c1-16(5-4-10(12,13)14)9(17)7-2-3-8(11)15-6-7/h2-3,6H,4-5H2,1H3.
What are the key properties of 6-chloro-N-methyl-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide?
6-chloro-N-methyl-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide has a molecular weight of 266.65 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide is sourced from PubChem (CID 61381204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).