N-(5-bromopyrazin-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide

C11H6BrF3N4O — CID 115692921

IUPACN-(5-bromopyrazin-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1cnc(Br)cn1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H6BrF3N4O/c12-8-4-18-9(5-17-8)19-10(20)7-2-1-6(3-16-7)11(13,14)15/h1-5H,(H,18,19,20)
InChIKeyAKNIHKPPAJGSLV-UHFFFAOYSA-N
MW347.09 g/mol
LogP2.91
Rot. Bonds2

About N-(5-bromopyrazin-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide

N-(5-bromopyrazin-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 115692921) has the molecular formula C11H6BrF3N4O and a molecular weight of 347.09 g/mol. Its IUPAC name is N-(5-bromopyrazin-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromopyrazin-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID115692921
Molecular FormulaC11H6BrF3N4O
Molecular Weight347.09 g/mol
Exact Mass345.97
IUPAC NameN-(5-bromopyrazin-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1cnc(Br)cn1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C11H6BrF3N4O/c12-8-4-18-9(5-17-8)19-10(20)7-2-1-6(3-16-7)11(13,14)15/h1-5H,(H,18,19,20)
InChIKeyAKNIHKPPAJGSLV-UHFFFAOYSA-N
XLogP2.91
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.09
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloropyrazin-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 107595663
N-(4-bromo-2-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 102674347
5-amino-N-(5-bromopyrazin-2-yl)pyridine-2-carboxamide
CID 81316335
5-amino-N-[5-(trifluoromethyl)-2-pyridinyl]pyridine-2-carboxamide
CID 24896989
N-(5-bromopyrazin-2-yl)-5-(propylamino)pyridine-2-carboxamide
CID 104641633
N-(5-bromopyrazin-2-yl)-5-(ethylamino)pyridine-2-carboxamide
CID 104641632
N-(5-bromopyrazin-2-yl)-5-methylpyrazine-2-carboxamide
CID 115650022
N-(3-bromo-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115578171
N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide
CID 84554131
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-but-3-yn-2-yl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114389784

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopyrazin-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-(5-bromopyrazin-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide (CID 115692921) is N-(5-bromopyrazin-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(5-bromopyrazin-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(5-bromopyrazin-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide is O=C(Nc1cnc(Br)cn1)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-(5-bromopyrazin-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is AKNIHKPPAJGSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrF3N4O/c12-8-4-18-9(5-17-8)19-10(20)7-2-1-6(3-16-7)11(13,14)15/h1-5H,(H,18,19,20).
What are the key properties of N-(5-bromopyrazin-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide?
N-(5-bromopyrazin-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 347.09 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopyrazin-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 115692921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).