1-(2-bromopropan-2-yl)indazole

C10H11BrN2 — CID 174866572

IUPAC1-(2-bromopropan-2-yl)indazole
SMILESCC(C)(Br)n1ncc2ccccc21
InChIInChI=1S/C10H11BrN2/c1-10(2,11)13-9-6-4-3-5-8(9)7-12-13/h3-7H,1-2H3
InChIKeyKSAFXUKGZLJVOJ-UHFFFAOYSA-N
MW239.12 g/mol
LogP3.12
Rot. Bonds1

About 1-(2-bromopropan-2-yl)indazole

1-(2-bromopropan-2-yl)indazole (PubChem CID 174866572) has the molecular formula C10H11BrN2 and a molecular weight of 239.12 g/mol. Its IUPAC name is 1-(2-bromopropan-2-yl)indazole.

Molecular Properties

Compound Name1-(2-bromopropan-2-yl)indazole
PubChem CID174866572
Molecular FormulaC10H11BrN2
Molecular Weight239.12 g/mol
Exact Mass238.01
IUPAC Name1-(2-bromopropan-2-yl)indazole
SMILESCC(C)(Br)n1ncc2ccccc21
InChIInChI=1S/C10H11BrN2/c1-10(2,11)13-9-6-4-3-5-8(9)7-12-13/h3-7H,1-2H3
InChIKeyKSAFXUKGZLJVOJ-UHFFFAOYSA-N
XLogP3.12
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromopropan-2-yl)indazole?
The IUPAC name of 1-(2-bromopropan-2-yl)indazole (CID 174866572) is 1-(2-bromopropan-2-yl)indazole.
What is the SMILES notation for 1-(2-bromopropan-2-yl)indazole?
The canonical SMILES for 1-(2-bromopropan-2-yl)indazole is CC(C)(Br)n1ncc2ccccc21.
What is the InChIKey of 1-(2-bromopropan-2-yl)indazole?
The InChIKey is KSAFXUKGZLJVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2/c1-10(2,11)13-9-6-4-3-5-8(9)7-12-13/h3-7H,1-2H3.
What are the key properties of 1-(2-bromopropan-2-yl)indazole?
1-(2-bromopropan-2-yl)indazole has a molecular weight of 239.12 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromopropan-2-yl)indazole is sourced from PubChem (CID 174866572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).