N-(6-chloro-5-methyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide

C13H9ClF3N3O — CID 103745352

IUPACN-(6-chloro-5-methyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(C(F)(F)F)cn2)cnc1Cl
InChIInChI=1S/C13H9ClF3N3O/c1-7-4-9(6-19-11(7)14)20-12(21)10-3-2-8(5-18-10)13(15,16)17/h2-6H,1H3,(H,20,21)
InChIKeyQDRAYDXMCFCSJQ-UHFFFAOYSA-N
MW315.68 g/mol
LogP3.71
Rot. Bonds2

About N-(6-chloro-5-methyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide

N-(6-chloro-5-methyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 103745352) has the molecular formula C13H9ClF3N3O and a molecular weight of 315.68 g/mol. Its IUPAC name is N-(6-chloro-5-methyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-5-methyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID103745352
Molecular FormulaC13H9ClF3N3O
Molecular Weight315.68 g/mol
Exact Mass315.04
IUPAC NameN-(6-chloro-5-methyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(C(F)(F)F)cn2)cnc1Cl
InChIInChI=1S/C13H9ClF3N3O/c1-7-4-9(6-19-11(7)14)20-12(21)10-3-2-8(5-18-10)13(15,16)17/h2-6H,1H3,(H,20,21)
InChIKeyQDRAYDXMCFCSJQ-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

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxy-3-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115751923
N-(3-bromo-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115578171
N-(3-amino-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114908271
N-(4-bromo-2-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115577245
N-(5-bromo-3-methyl-2-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115739184
5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzamide
CID 103842318
N-(6-chloro-5-methyl-3-pyridinyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 106741523
N-(6-chloro-5-methyl-3-pyridinyl)-6-fluoropyridine-3-carboxamide
CID 103745328
N-(6-chloro-5-methyl-3-pyridinyl)-2-fluoro-5-methylbenzamide
CID 113250442
N-(3-amino-5-fluorophenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 107334173
N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzamide
CID 103730447
N-[4-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114750435

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide (CID 103745352) is N-(6-chloro-5-methyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(6-chloro-5-methyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(6-chloro-5-methyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide is Cc1cc(NC(=O)c2ccc(C(F)(F)F)cn2)cnc1Cl.
What is the InChIKey of N-(6-chloro-5-methyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is QDRAYDXMCFCSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3N3O/c1-7-4-9(6-19-11(7)14)20-12(21)10-3-2-8(5-18-10)13(15,16)17/h2-6H,1H3,(H,20,21).
What are the key properties of N-(6-chloro-5-methyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
N-(6-chloro-5-methyl-3-pyridinyl)-5-(trifluoromethyl)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 N-(6-chloro-5-methyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 103745352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).