5-bromo-N-(3,4,5-trifluorophenyl)pyridine-2-carboxamide

C12H6BrF3N2O — CID 55152694

IUPAC5-bromo-N-(3,4,5-trifluorophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc(F)c(F)c(F)c1)c1ccc(Br)cn1
InChIInChI=1S/C12H6BrF3N2O/c13-6-1-2-10(17-5-6)12(19)18-7-3-8(14)11(16)9(15)4-7/h1-5H,(H,18,19)
InChIKeyBYFPLEASCXHHBO-UHFFFAOYSA-N
MW331.09 g/mol
LogP3.51
Rot. Bonds2

About 5-bromo-N-(3,4,5-trifluorophenyl)pyridine-2-carboxamide

5-bromo-N-(3,4,5-trifluorophenyl)pyridine-2-carboxamide (PubChem CID 55152694) has the molecular formula C12H6BrF3N2O and a molecular weight of 331.09 g/mol. Its IUPAC name is 5-bromo-N-(3,4,5-trifluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3,4,5-trifluorophenyl)pyridine-2-carboxamide
PubChem CID55152694
Molecular FormulaC12H6BrF3N2O
Molecular Weight331.09 g/mol
Exact Mass329.96
IUPAC Name5-bromo-N-(3,4,5-trifluorophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc(F)c(F)c(F)c1)c1ccc(Br)cn1
InChIInChI=1S/C12H6BrF3N2O/c13-6-1-2-10(17-5-6)12(19)18-7-3-8(14)11(16)9(15)4-7/h1-5H,(H,18,19)
InChIKeyBYFPLEASCXHHBO-UHFFFAOYSA-N
XLogP3.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.09
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(3-chloro-5-fluorophenyl)pyridine-2-carboxamide
CID 113259351
5-bromo-N-[4-fluoro-3-(hydroxymethyl)phenyl]pyridine-2-carboxamide
CID 90238784
5-bromo-N-(2,5-difluorophenyl)pyridine-2-carboxamide
CID 62952498
5-bromo-N-[4-(methylcarbamoylamino)phenyl]pyridine-2-carboxamide
CID 62954926
5-bromo-N-[3-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 116700198
5-hydrazinyl-N-(3,4,5-trifluorophenyl)pyrazine-2-carboxamide
CID 107378182
5-bromo-N-(3-methylsulfanylphenyl)pyridine-2-carboxamide
CID 55153069
4-bromo-2-hydroxy-N-(3,4,5-trifluorophenyl)benzamide
CID 62812192
N-(2-amino-4-bromophenyl)-5-bromopyridine-2-carboxamide
CID 62958937
2-bromo-5-[(5-bromopyridine-2-carbonyl)amino]benzoic acid
CID 115295703
5-bromo-N-(3-fluoro-2-iodophenyl)pyridine-2-carboxamide
CID 113340903
5-bromo-N-[4-(difluoromethoxy)phenyl]pyridine-2-carboxamide
CID 62953190

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3,4,5-trifluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-(3,4,5-trifluorophenyl)pyridine-2-carboxamide (CID 55152694) is 5-bromo-N-(3,4,5-trifluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3,4,5-trifluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3,4,5-trifluorophenyl)pyridine-2-carboxamide is O=C(Nc1cc(F)c(F)c(F)c1)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-(3,4,5-trifluorophenyl)pyridine-2-carboxamide?
The InChIKey is BYFPLEASCXHHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrF3N2O/c13-6-1-2-10(17-5-6)12(19)18-7-3-8(14)11(16)9(15)4-7/h1-5H,(H,18,19).
What are the key properties of 5-bromo-N-(3,4,5-trifluorophenyl)pyridine-2-carboxamide?
5-bromo-N-(3,4,5-trifluorophenyl)pyridine-2-carboxamide has a molecular weight of 331.09 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3,4,5-trifluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 55152694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).