6-chloro-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridine-3-carboxamide

C15H11ClF3N3O2 — CID 36661694

IUPAC6-chloro-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NCC(F)(F)F)c1ccc(Cl)nc1
InChIInChI=1S/C15H11ClF3N3O2/c16-12-6-5-9(7-20-12)13(23)22-11-4-2-1-3-10(11)14(24)21-8-15(17,18)19/h1-7H,8H2,(H,21,24)(H,22,23)
InChIKeyGBPRBYZDSCQQMY-UHFFFAOYSA-N
MW357.72 g/mol
LogP3.28
Rot. Bonds4

About 6-chloro-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridine-3-carboxamide

6-chloro-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridine-3-carboxamide (PubChem CID 36661694) has the molecular formula C15H11ClF3N3O2 and a molecular weight of 357.72 g/mol. Its IUPAC name is 6-chloro-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridine-3-carboxamide
PubChem CID36661694
Molecular FormulaC15H11ClF3N3O2
Molecular Weight357.72 g/mol
Exact Mass357.05
IUPAC Name6-chloro-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NCC(F)(F)F)c1ccc(Cl)nc1
InChIInChI=1S/C15H11ClF3N3O2/c16-12-6-5-9(7-20-12)13(23)22-11-4-2-1-3-10(11)14(24)21-8-15(17,18)19/h1-7H,8H2,(H,21,24)(H,22,23)
InChIKeyGBPRBYZDSCQQMY-UHFFFAOYSA-N
XLogP3.28
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.72
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
CID 41369460
methyl 2-[(6-chloropyridine-3-carbonyl)amino]benzoate
CID 18273877
6-chloro-N-[2-(hydroxymethyl)phenyl]pyridine-3-carboxamide
CID 60655184
2-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 46451358
2-[[3-(dimethylamino)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 35966446
6-chloro-N-(2-methylphenyl)pyridine-3-carboxamide
CID 2599141
2-[[4-(dimethylsulfamoyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 17426970
2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 7614463
2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 55492050
2-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]furan-3-carboxamide
CID 17417413
2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 46543355
2,5-dichloro-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 114917186

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridine-3-carboxamide (CID 36661694) is 6-chloro-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccccc1C(=O)NCC(F)(F)F)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridine-3-carboxamide?
The InChIKey is GBPRBYZDSCQQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3N3O2/c16-12-6-5-9(7-20-12)13(23)22-11-4-2-1-3-10(11)14(24)21-8-15(17,18)19/h1-7H,8H2,(H,21,24)(H,22,23).
What are the key properties of 6-chloro-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridine-3-carboxamide?
6-chloro-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridine-3-carboxamide has a molecular weight of 357.72 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 36661694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).