2-bromo-N-(6-chloropyridazin-3-yl)-5-(trifluoromethyl)benzamide

C12H6BrClF3N3O — CID 115744112

IUPAC2-bromo-N-(6-chloropyridazin-3-yl)-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(Cl)nn1)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C12H6BrClF3N3O/c13-8-2-1-6(12(15,16)17)5-7(8)11(21)18-10-4-3-9(14)19-20-10/h1-5H,(H,18,20,21)
InChIKeyGVCYSRPYSJSAGJ-UHFFFAOYSA-N
MW380.55 g/mol
LogP4.16
Rot. Bonds2

About 2-bromo-N-(6-chloropyridazin-3-yl)-5-(trifluoromethyl)benzamide

2-bromo-N-(6-chloropyridazin-3-yl)-5-(trifluoromethyl)benzamide (PubChem CID 115744112) has the molecular formula C12H6BrClF3N3O and a molecular weight of 380.55 g/mol. Its IUPAC name is 2-bromo-N-(6-chloropyridazin-3-yl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(6-chloropyridazin-3-yl)-5-(trifluoromethyl)benzamide
PubChem CID115744112
Molecular FormulaC12H6BrClF3N3O
Molecular Weight380.55 g/mol
Exact Mass378.93
IUPAC Name2-bromo-N-(6-chloropyridazin-3-yl)-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(Cl)nn1)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C12H6BrClF3N3O/c13-8-2-1-6(12(15,16)17)5-7(8)11(21)18-10-4-3-9(14)19-20-10/h1-5H,(H,18,20,21)
InChIKeyGVCYSRPYSJSAGJ-UHFFFAOYSA-N
XLogP4.16
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.55
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)benzamide
CID 103943464
2-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)benzamide
CID 115744341
N-(6-chloropyridazin-3-yl)-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 91649769
2-bromo-N-(2-bromo-3-pyridinyl)-5-(trifluoromethyl)benzamide
CID 103819418
2-bromo-N-(6-fluoro-3-pyridinyl)-5-(trifluoromethyl)benzamide
CID 103819052
4-bromo-N-(6-chloropyridazin-3-yl)-2,6-difluorobenzamide
CID 115686692
4-bromo-N-(6-chloropyridazin-3-yl)-2-methylbenzamide
CID 115624460
N-(6-chloropyridazin-3-yl)-2-[3-(trifluoromethyl)phenyl]-3H-indole-7-carboxamide
CID 58278684
N-(6-chloropyridazin-3-yl)benzamide
CID 13125576
4-bromo-N-(6-chloropyridazin-3-yl)-3-nitrobenzamide
CID 115608655
2-amino-N-(6-chloropyridazin-3-yl)-5-hydroxybenzamide
CID 136792800
(2S,3R)-2-[[2-bromo-5-(trifluoromethyl)benzoyl]amino]-3-hydroxybutanoic acid
CID 104965036

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(6-chloropyridazin-3-yl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-bromo-N-(6-chloropyridazin-3-yl)-5-(trifluoromethyl)benzamide (CID 115744112) is 2-bromo-N-(6-chloropyridazin-3-yl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-bromo-N-(6-chloropyridazin-3-yl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-bromo-N-(6-chloropyridazin-3-yl)-5-(trifluoromethyl)benzamide is O=C(Nc1ccc(Cl)nn1)c1cc(C(F)(F)F)ccc1Br.
What is the InChIKey of 2-bromo-N-(6-chloropyridazin-3-yl)-5-(trifluoromethyl)benzamide?
The InChIKey is GVCYSRPYSJSAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClF3N3O/c13-8-2-1-6(12(15,16)17)5-7(8)11(21)18-10-4-3-9(14)19-20-10/h1-5H,(H,18,20,21).
What are the key properties of 2-bromo-N-(6-chloropyridazin-3-yl)-5-(trifluoromethyl)benzamide?
2-bromo-N-(6-chloropyridazin-3-yl)-5-(trifluoromethyl)benzamide has a molecular weight of 380.55 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(6-chloropyridazin-3-yl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 115744112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).