2-chloro-N-methyl-5-nitro-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

C9H7ClF3N3O3 — CID 103803623

IUPAC2-chloro-N-methyl-5-nitro-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCN(CC(F)(F)F)C(=O)c1cc([N+](=O)[O-])cnc1Cl
InChIInChI=1S/C9H7ClF3N3O3/c1-15(4-9(11,12)13)8(17)6-2-5(16(18)19)3-14-7(6)10/h2-3H,4H2,1H3
InChIKeyBTBJXPHKYYXFRC-UHFFFAOYSA-N
MW297.62 g/mol
LogP2.28
Rot. Bonds3

About 2-chloro-N-methyl-5-nitro-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide

2-chloro-N-methyl-5-nitro-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (PubChem CID 103803623) has the molecular formula C9H7ClF3N3O3 and a molecular weight of 297.62 g/mol. Its IUPAC name is 2-chloro-N-methyl-5-nitro-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-methyl-5-nitro-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
PubChem CID103803623
Molecular FormulaC9H7ClF3N3O3
Molecular Weight297.62 g/mol
Exact Mass297.01
IUPAC Name2-chloro-N-methyl-5-nitro-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
SMILESCN(CC(F)(F)F)C(=O)c1cc([N+](=O)[O-])cnc1Cl
InChIInChI=1S/C9H7ClF3N3O3/c1-15(4-9(11,12)13)8(17)6-2-5(16(18)19)3-14-7(6)10/h2-3H,4H2,1H3
InChIKeyBTBJXPHKYYXFRC-UHFFFAOYSA-N
XLogP2.28
TPSA76.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.62
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-N-methyl-5-nitro-N-(2,2,2-trifluoroethyl)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

5-Nitropyridine-3-carboxamide
CID 13292025
3-Pyridinecarboxamide, 2-chloro-5-nitro-
CID 151622
1-(2-Chloro-5-nitropyridin-4-yl)ethan-1-one
CID 58387568
2-chloro-N-(2-nitrophenyl)pyridine-3-carboxamide
CID 4365552
6-chloro-N-methyl-N-(trifluoromethyl)pyridine-3-carboxamide
CID 176438388
2-Methyl-5-nitropyridine-3-carboxamide
CID 21405270
6-chloro-N-methyl-5-nitropyridine-3-carboxamide
CID 171531866
1-(2-Chloropyridine-3-carbonyl)-5-(trifluoromethyl)-1,2-dihydropyridin-2-one
CID 2313917
6-Chloro-N-(4-fluoro-2-nitrophenyl)-3-pyridinecarboxamide
CID 9900796
6-Chloro-N-(4,5-difluoro-2-nitrophenyl)-3-pyridinecarboxamide
CID 9922830
6-Chloro-N-(2-nitro-4-trifluoromethylphenyl)-3-pyridinecarboxamide
CID 10269103
2-Chloro-5-fluoro-N-methoxy-N-methylnicotinamide
CID 53416792

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-5-nitro-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-methyl-5-nitro-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide (CID 103803623) is 2-chloro-N-methyl-5-nitro-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-methyl-5-nitro-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-methyl-5-nitro-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is CN(CC(F)(F)F)C(=O)c1cc([N+](=O)[O-])cnc1Cl.
What is the InChIKey of 2-chloro-N-methyl-5-nitro-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
The InChIKey is BTBJXPHKYYXFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3N3O3/c1-15(4-9(11,12)13)8(17)6-2-5(16(18)19)3-14-7(6)10/h2-3H,4H2,1H3.
What are the key properties of 2-chloro-N-methyl-5-nitro-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide?
2-chloro-N-methyl-5-nitro-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide has a molecular weight of 297.62 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-5-nitro-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide is sourced from PubChem (CID 103803623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).