N-(3-bromo-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide

C14H10BrF3N2O — CID 115578171

IUPACN-(3-bromo-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(C(F)(F)F)cn2)cc1Br
InChIInChI=1S/C14H10BrF3N2O/c1-8-2-4-10(6-11(8)15)20-13(21)12-5-3-9(7-19-12)14(16,17)18/h2-7H,1H3,(H,20,21)
InChIKeyNYGMIYSPSZTSLH-UHFFFAOYSA-N
MW359.15 g/mol
LogP4.42
Rot. Bonds2

About N-(3-bromo-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide

N-(3-bromo-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 115578171) has the molecular formula C14H10BrF3N2O and a molecular weight of 359.15 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID115578171
Molecular FormulaC14H10BrF3N2O
Molecular Weight359.15 g/mol
Exact Mass357.99
IUPAC NameN-(3-bromo-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(C(F)(F)F)cn2)cc1Br
InChIInChI=1S/C14H10BrF3N2O/c1-8-2-4-10(6-11(8)15)20-13(21)12-5-3-9(7-19-12)14(16,17)18/h2-7H,1H3,(H,20,21)
InChIKeyNYGMIYSPSZTSLH-UHFFFAOYSA-N
XLogP4.42
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.15
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114908271
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
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
N-(3-methylphenyl)-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109197325
N-(3-bromo-4-methylphenyl)pyrazine-2-carboxamide
CID 110699072
N-[4-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114750435
N-(3-bromo-4-methylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182834
N-(4-bromo-2-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 102674347
3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide
CID 81471558
N-(3-bromo-4-methylphenyl)-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109290143

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide (CID 115578171) is N-(3-bromo-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide is Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cn2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is NYGMIYSPSZTSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF3N2O/c1-8-2-4-10(6-11(8)15)20-13(21)12-5-3-9(7-19-12)14(16,17)18/h2-7H,1H3,(H,20,21).
What are the key properties of N-(3-bromo-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
N-(3-bromo-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 359.15 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 115578171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).