5-bromo-2-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C14H9BrClF3N2O — CID 52780386

IUPAC5-bromo-2-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(Br)cnc2Cl)cc1C(F)(F)F
InChIInChI=1S/C14H9BrClF3N2O/c1-7-2-3-9(5-11(7)14(17,18)19)21-13(22)10-4-8(15)6-20-12(10)16/h2-6H,1H3,(H,21,22)
InChIKeyNQXOEXBQMILWAG-UHFFFAOYSA-N
MW393.59 g/mol
LogP5.08
Rot. Bonds2

About 5-bromo-2-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

5-bromo-2-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 52780386) has the molecular formula C14H9BrClF3N2O and a molecular weight of 393.59 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID52780386
Molecular FormulaC14H9BrClF3N2O
Molecular Weight393.59 g/mol
Exact Mass391.95
IUPAC Name5-bromo-2-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cc(Br)cnc2Cl)cc1C(F)(F)F
InChIInChI=1S/C14H9BrClF3N2O/c1-7-2-3-9(5-11(7)14(17,18)19)21-13(22)10-4-8(15)6-20-12(10)16/h2-6H,1H3,(H,21,22)
InChIKeyNQXOEXBQMILWAG-UHFFFAOYSA-N
XLogP5.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.59
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-chloro-N-(4-fluoro-3-methoxyphenyl)pyridine-3-carboxamide
CID 114839248
5-bromo-2-chloro-N-(2,6-difluoro-3-methylphenyl)pyridine-3-carboxamide
CID 82818718
5-bromo-2-chloro-N-phenylpyridine-3-carboxamide
CID 59781136
5-bromo-2-chloro-N-(4-chloro-3-methoxyphenyl)pyridine-3-carboxamide
CID 107300867
5-bromo-2-chloro-N-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carboxamide
CID 62000422
5-bromo-2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 65491463
5-bromo-2-chloro-N-(6-methylsulfonyl-3-pyridinyl)pyridine-3-carboxamide
CID 62000829
N-(4-bromophenyl)-2-chloro-5-fluoropyridine-3-carboxamide
CID 87757285
2-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 24583903
5-bromo-N-(2-bromo-4-methylphenyl)-2-chloropyridine-3-carboxamide
CID 62001176
2,5-difluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 24573056
5-bromo-2-chloro-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 62000214

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 52780386) is 5-bromo-2-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is Cc1ccc(NC(=O)c2cc(Br)cnc2Cl)cc1C(F)(F)F.
What is the InChIKey of 5-bromo-2-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is NQXOEXBQMILWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClF3N2O/c1-7-2-3-9(5-11(7)14(17,18)19)21-13(22)10-4-8(15)6-20-12(10)16/h2-6H,1H3,(H,21,22).
What are the key properties of 5-bromo-2-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
5-bromo-2-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 393.59 g/mol, XLogP of 5.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 52780386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).