4-bromo-N-(6-oxo-1H-pyridazin-3-yl)-3-(trifluoromethyl)benzamide

C12H7BrF3N3O2 — CID 116787203

IUPAC4-bromo-N-(6-oxo-1H-pyridazin-3-yl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(=O)[nH]n1)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C12H7BrF3N3O2/c13-8-2-1-6(5-7(8)12(14,15)16)11(21)17-9-3-4-10(20)19-18-9/h1-5H,(H,19,20)(H,17,18,21)
InChIKeyPBGKSMXNJZKENK-UHFFFAOYSA-N
MW362.11 g/mol
LogP2.80
Rot. Bonds2

About 4-bromo-N-(6-oxo-1H-pyridazin-3-yl)-3-(trifluoromethyl)benzamide

4-bromo-N-(6-oxo-1H-pyridazin-3-yl)-3-(trifluoromethyl)benzamide (PubChem CID 116787203) has the molecular formula C12H7BrF3N3O2 and a molecular weight of 362.11 g/mol. Its IUPAC name is 4-bromo-N-(6-oxo-1H-pyridazin-3-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(6-oxo-1H-pyridazin-3-yl)-3-(trifluoromethyl)benzamide
PubChem CID116787203
Molecular FormulaC12H7BrF3N3O2
Molecular Weight362.11 g/mol
Exact Mass360.97
IUPAC Name4-bromo-N-(6-oxo-1H-pyridazin-3-yl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(=O)[nH]n1)c1ccc(Br)c(C(F)(F)F)c1
InChIInChI=1S/C12H7BrF3N3O2/c13-8-2-1-6(5-7(8)12(14,15)16)11(21)17-9-3-4-10(20)19-18-9/h1-5H,(H,19,20)(H,17,18,21)
InChIKeyPBGKSMXNJZKENK-UHFFFAOYSA-N
XLogP2.80
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.11
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-(6-oxo-1H-pyridazin-3-yl)naphthalene-2-carboxamide
CID 116787217
4-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzamide
CID 116786641
N-(6-oxo-1H-pyridazin-3-yl)-1H-indazole-6-carboxamide
CID 116787487
2-bromo-5-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzamide
CID 116787216
2,4-dibromo-N-(6-oxo-1H-pyridazin-3-yl)benzamide
CID 114020151
4-bromo-N-pyridin-4-yl-3-(trifluoromethyl)benzamide
CID 81449888
4-bromo-N-(thiatriazol-5-yl)-3-(trifluoromethyl)benzamide
CID 114912769
2-bromo-4-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzamide
CID 116787212
N-[4-bromo-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 1095073
4-bromo-N-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)benzamide
CID 103943463
4-amino-3,5-dichloro-N-(6-oxo-1H-pyridazin-3-yl)benzamide
CID 116786983
3-bromo-N-(6-oxo-1H-pyridazin-3-yl)thiophene-2-carboxamide
CID 116787231

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(6-oxo-1H-pyridazin-3-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-bromo-N-(6-oxo-1H-pyridazin-3-yl)-3-(trifluoromethyl)benzamide (CID 116787203) is 4-bromo-N-(6-oxo-1H-pyridazin-3-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-bromo-N-(6-oxo-1H-pyridazin-3-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-bromo-N-(6-oxo-1H-pyridazin-3-yl)-3-(trifluoromethyl)benzamide is O=C(Nc1ccc(=O)[nH]n1)c1ccc(Br)c(C(F)(F)F)c1.
What is the InChIKey of 4-bromo-N-(6-oxo-1H-pyridazin-3-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is PBGKSMXNJZKENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrF3N3O2/c13-8-2-1-6(5-7(8)12(14,15)16)11(21)17-9-3-4-10(20)19-18-9/h1-5H,(H,19,20)(H,17,18,21).
What are the key properties of 4-bromo-N-(6-oxo-1H-pyridazin-3-yl)-3-(trifluoromethyl)benzamide?
4-bromo-N-(6-oxo-1H-pyridazin-3-yl)-3-(trifluoromethyl)benzamide has a molecular weight of 362.11 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(6-oxo-1H-pyridazin-3-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 116787203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).