5-bromo-1-propan-2-ylindazole-3-carbonitrile

C11H10BrN3 — CID 166063217

IUPAC5-bromo-1-propan-2-ylindazole-3-carbonitrile
SMILESCC(C)n1nc(C#N)c2cc(Br)ccc21
InChIInChI=1S/C11H10BrN3/c1-7(2)15-11-4-3-8(12)5-9(11)10(6-13)14-15/h3-5,7H,1-2H3
InChIKeyCQZBGDRKNGLQAR-UHFFFAOYSA-N
MW264.13 g/mol
LogP3.25
Rot. Bonds1

About 5-bromo-1-propan-2-ylindazole-3-carbonitrile

5-bromo-1-propan-2-ylindazole-3-carbonitrile (PubChem CID 166063217) has the molecular formula C11H10BrN3 and a molecular weight of 264.13 g/mol. Its IUPAC name is 5-bromo-1-propan-2-ylindazole-3-carbonitrile.

Molecular Properties

Compound Name5-bromo-1-propan-2-ylindazole-3-carbonitrile
PubChem CID166063217
Molecular FormulaC11H10BrN3
Molecular Weight264.13 g/mol
Exact Mass263.01
IUPAC Name5-bromo-1-propan-2-ylindazole-3-carbonitrile
SMILESCC(C)n1nc(C#N)c2cc(Br)ccc21
InChIInChI=1S/C11H10BrN3/c1-7(2)15-11-4-3-8(12)5-9(11)10(6-13)14-15/h3-5,7H,1-2H3
InChIKeyCQZBGDRKNGLQAR-UHFFFAOYSA-N
XLogP3.25
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.13
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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5-bromo-1-(4-fluoro-3-methoxyphenyl)indazole-3-carbonitrile
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1-(3-bromo-1-propan-2-ylindazol-5-yl)ethanamine
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1-(3-cyano-1-propan-2-ylindazol-5-yl)pyrazole-4-carboxylic acid;3-phenylprop-2-enoic acid
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5-bromo-2-propan-2-ylindazole-3-carboxylic acid
CID 84730622
[(E)-3-phenylprop-2-enoyl] 2-(3-cyano-1-propan-2-ylindazol-5-yl)pyridine-4-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-propan-2-ylindazole-3-carbonitrile?
The IUPAC name of 5-bromo-1-propan-2-ylindazole-3-carbonitrile (CID 166063217) is 5-bromo-1-propan-2-ylindazole-3-carbonitrile.
What is the SMILES notation for 5-bromo-1-propan-2-ylindazole-3-carbonitrile?
The canonical SMILES for 5-bromo-1-propan-2-ylindazole-3-carbonitrile is CC(C)n1nc(C#N)c2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1-propan-2-ylindazole-3-carbonitrile?
The InChIKey is CQZBGDRKNGLQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3/c1-7(2)15-11-4-3-8(12)5-9(11)10(6-13)14-15/h3-5,7H,1-2H3.
What are the key properties of 5-bromo-1-propan-2-ylindazole-3-carbonitrile?
5-bromo-1-propan-2-ylindazole-3-carbonitrile has a molecular weight of 264.13 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-propan-2-ylindazole-3-carbonitrile is sourced from PubChem (CID 166063217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).