3-chloro-N-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide

C13H9ClF3N3O — CID 118216736

IUPAC3-chloro-N-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
SMILESCc1cc(C(F)(F)F)cc(NC(=O)c2ncccc2Cl)n1
InChIInChI=1S/C13H9ClF3N3O/c1-7-5-8(13(15,16)17)6-10(19-7)20-12(21)11-9(14)3-2-4-18-11/h2-6H,1H3,(H,19,20,21)
InChIKeyKMABICQCWHDHGL-UHFFFAOYSA-N
MW315.68 g/mol
LogP3.71
Rot. Bonds2

About 3-chloro-N-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide

3-chloro-N-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide (PubChem CID 118216736) has the molecular formula C13H9ClF3N3O and a molecular weight of 315.68 g/mol. Its IUPAC name is 3-chloro-N-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
PubChem CID118216736
Molecular FormulaC13H9ClF3N3O
Molecular Weight315.68 g/mol
Exact Mass315.04
IUPAC Name3-chloro-N-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
SMILESCc1cc(C(F)(F)F)cc(NC(=O)c2ncccc2Cl)n1
InChIInChI=1S/C13H9ClF3N3O/c1-7-5-8(13(15,16)17)6-10(19-7)20-12(21)11-9(14)3-2-4-18-11/h2-6H,1H3,(H,19,20,21)
InChIKeyKMABICQCWHDHGL-UHFFFAOYSA-N
XLogP3.71
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.68
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 118113315
N-[3-bromo-2-(methylamino)-5-(trifluoromethyl)phenyl]-3-chloropyridine-2-carboxamide
CID 71250988
4-chloro-N'-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]benzohydrazide
CID 2805711
2-[(4,6-dimethyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid
CID 114931889
3-chloro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 175833514
2,6-dichloro-N-(4,6-dimethyl-2-pyridinyl)benzamide
CID 5099860
3-chloro-N-(2,2,3,3,3-pentafluoropropyl)pyridine-2-carboxamide
CID 175833498
2-N,6-N-bis(2-chlorophenyl)-4-(trifluoromethyl)pyridine-2,6-dicarboxamide
CID 30772806
2-[(6-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylic acid
CID 19154811
N-(3-chloro-2-pyridinyl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 103943594
N-(3-chloro-2-methylphenyl)-3-fluoropyridine-2-carboxamide
CID 110474859
2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 141350962

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide (CID 118216736) is 3-chloro-N-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide is Cc1cc(C(F)(F)F)cc(NC(=O)c2ncccc2Cl)n1.
What is the InChIKey of 3-chloro-N-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide?
The InChIKey is KMABICQCWHDHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3N3O/c1-7-5-8(13(15,16)17)6-10(19-7)20-12(21)11-9(14)3-2-4-18-11/h2-6H,1H3,(H,19,20,21).
What are the key properties of 3-chloro-N-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide?
3-chloro-N-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide has a molecular weight of 315.68 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 118216736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).