N-(5-bromo-1H-indazol-3-yl)-2,2,2-trifluoroacetamide

C9H5BrF3N3O — CID 22607257

IUPACN-(5-bromo-1H-indazol-3-yl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1n[nH]c2ccc(Br)cc12)C(F)(F)F
InChIInChI=1S/C9H5BrF3N3O/c10-4-1-2-6-5(3-4)7(16-15-6)14-8(17)9(11,12)13/h1-3H,(H2,14,15,16,17)
InChIKeyOTUUROLZQVREKN-UHFFFAOYSA-N
MW308.06 g/mol
LogP2.83
Rot. Bonds1

About N-(5-bromo-1H-indazol-3-yl)-2,2,2-trifluoroacetamide

N-(5-bromo-1H-indazol-3-yl)-2,2,2-trifluoroacetamide (PubChem CID 22607257) has the molecular formula C9H5BrF3N3O and a molecular weight of 308.06 g/mol. Its IUPAC name is N-(5-bromo-1H-indazol-3-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(5-bromo-1H-indazol-3-yl)-2,2,2-trifluoroacetamide
PubChem CID22607257
Molecular FormulaC9H5BrF3N3O
Molecular Weight308.06 g/mol
Exact Mass306.96
IUPAC NameN-(5-bromo-1H-indazol-3-yl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1n[nH]c2ccc(Br)cc12)C(F)(F)F
InChIInChI=1S/C9H5BrF3N3O/c10-4-1-2-6-5(3-4)7(16-15-6)14-8(17)9(11,12)13/h1-3H,(H2,14,15,16,17)
InChIKeyOTUUROLZQVREKN-UHFFFAOYSA-N
XLogP2.83
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.06
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1H-indazol-3-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(5-bromo-1H-indazol-3-yl)-2,2,2-trifluoroacetamide (CID 22607257) is N-(5-bromo-1H-indazol-3-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(5-bromo-1H-indazol-3-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(5-bromo-1H-indazol-3-yl)-2,2,2-trifluoroacetamide is O=C(Nc1n[nH]c2ccc(Br)cc12)C(F)(F)F.
What is the InChIKey of N-(5-bromo-1H-indazol-3-yl)-2,2,2-trifluoroacetamide?
The InChIKey is OTUUROLZQVREKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrF3N3O/c10-4-1-2-6-5(3-4)7(16-15-6)14-8(17)9(11,12)13/h1-3H,(H2,14,15,16,17).
What are the key properties of N-(5-bromo-1H-indazol-3-yl)-2,2,2-trifluoroacetamide?
N-(5-bromo-1H-indazol-3-yl)-2,2,2-trifluoroacetamide has a molecular weight of 308.06 g/mol, XLogP of 2.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1H-indazol-3-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 22607257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).