N-(4-bromo-2-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide

C12H7BrF3N3O — CID 102674347

IUPACN-(4-bromo-2-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc(Br)ccn1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H7BrF3N3O/c13-8-3-4-17-10(5-8)19-11(20)9-2-1-7(6-18-9)12(14,15)16/h1-6H,(H,17,19,20)
InChIKeyLDXLGPIXTHEJRK-UHFFFAOYSA-N
MW346.11 g/mol
LogP3.51
Rot. Bonds2

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

N-(4-bromo-2-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 102674347) has the molecular formula C12H7BrF3N3O and a molecular weight of 346.11 g/mol. Its IUPAC name is N-(4-bromo-2-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID102674347
Molecular FormulaC12H7BrF3N3O
Molecular Weight346.11 g/mol
Exact Mass344.97
IUPAC NameN-(4-bromo-2-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1cc(Br)ccn1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H7BrF3N3O/c13-8-3-4-17-10(5-8)19-11(20)9-2-1-7(6-18-9)12(14,15)16/h1-6H,(H,17,19,20)
InChIKeyLDXLGPIXTHEJRK-UHFFFAOYSA-N
XLogP3.51
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.11
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-bromopyrazin-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115692921
N-(4-bromo-2-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115577245
N-(4-bromo-2-pyridinyl)-5-methylpyrazine-2-carboxamide
CID 102674370
N-(4-bromo-2-pyridinyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 102674338
N-(5-bromo-3-methyl-2-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115739184
N-(5-chloropyrazin-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 107595663
5-amino-N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
CID 24896989
1-(4-bromo-2-pyridinyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 102820650
N-(3-bromo-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115578171
N-(4-bromo-2-pyridinyl)-1-methylpyrazole-3-carboxamide
CID 102674262
4-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 132587573
N-(4-bromo-2-pyridinyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 102674046

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-(4-bromo-2-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide (CID 102674347) is N-(4-bromo-2-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(4-bromo-2-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide is O=C(Nc1cc(Br)ccn1)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-(4-bromo-2-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is LDXLGPIXTHEJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF3N3O/c13-8-3-4-17-10(5-8)19-11(20)9-2-1-7(6-18-9)12(14,15)16/h1-6H,(H,17,19,20).
What are the key properties of N-(4-bromo-2-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
N-(4-bromo-2-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 346.11 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 102674347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).