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

C13H9BrF3N3O — CID 115739184

IUPACN-(5-bromo-3-methyl-2-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCc1cc(Br)cnc1NC(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H9BrF3N3O/c1-7-4-9(14)6-19-11(7)20-12(21)10-3-2-8(5-18-10)13(15,16)17/h2-6H,1H3,(H,19,20,21)
InChIKeyLTFPGVMPANWJQB-UHFFFAOYSA-N
MW360.13 g/mol
LogP3.82
Rot. Bonds2

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

N-(5-bromo-3-methyl-2-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 115739184) has the molecular formula C13H9BrF3N3O and a molecular weight of 360.13 g/mol. Its IUPAC name is N-(5-bromo-3-methyl-2-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-3-methyl-2-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID115739184
Molecular FormulaC13H9BrF3N3O
Molecular Weight360.13 g/mol
Exact Mass358.99
IUPAC NameN-(5-bromo-3-methyl-2-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCc1cc(Br)cnc1NC(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C13H9BrF3N3O/c1-7-4-9(14)6-19-11(7)20-12(21)10-3-2-8(5-18-10)13(15,16)17/h2-6H,1H3,(H,19,20,21)
InChIKeyLTFPGVMPANWJQB-UHFFFAOYSA-N
XLogP3.82
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.13
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115577245
N-(3-bromo-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115578171
N-(5-bromo-3-methyl-2-pyridinyl)-2-(trifluoromethyl)benzamide
CID 81485699
N-(4-bromo-2-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 102674347
N-(5-bromo-3-methyl-2-pyridinyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 83170144
N-(4-hydroxy-3-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115751923
N-(6-chloro-5-methyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 103745352
5-bromo-3-methyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 84609052
N-(3-amino-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114908271
5-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-hydrazinylpyridine-3-carboxamide
CID 83170019
N-(5-bromo-3-methyl-2-pyridinyl)-3,3,3-trifluoropropanamide
CID 81489506
N-(5-bromo-3-methyl-2-pyridinyl)-2-chloro-4-methylbenzamide
CID 106509648

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-(5-bromo-3-methyl-2-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide (CID 115739184) is N-(5-bromo-3-methyl-2-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(5-bromo-3-methyl-2-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(5-bromo-3-methyl-2-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide is Cc1cc(Br)cnc1NC(=O)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-(5-bromo-3-methyl-2-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is LTFPGVMPANWJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF3N3O/c1-7-4-9(14)6-19-11(7)20-12(21)10-3-2-8(5-18-10)13(15,16)17/h2-6H,1H3,(H,19,20,21).
What are the key properties of N-(5-bromo-3-methyl-2-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
N-(5-bromo-3-methyl-2-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 360.13 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-methyl-2-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 115739184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).