3-(bromomethyl)-5-methyl-2-propan-2-ylindazole

C12H15BrN2 — CID 84729829

IUPAC3-(bromomethyl)-5-methyl-2-propan-2-ylindazole
SMILESCc1ccc2nn(C(C)C)c(CBr)c2c1
InChIInChI=1S/C12H15BrN2/c1-8(2)15-12(7-13)10-6-9(3)4-5-11(10)14-15/h4-6,8H,7H2,1-3H3
InChIKeyGBNZVSWQDGLGQO-UHFFFAOYSA-N
MW267.17 g/mol
LogP3.82
Rot. Bonds2

About 3-(bromomethyl)-5-methyl-2-propan-2-ylindazole

3-(bromomethyl)-5-methyl-2-propan-2-ylindazole (PubChem CID 84729829) has the molecular formula C12H15BrN2 and a molecular weight of 267.17 g/mol. Its IUPAC name is 3-(bromomethyl)-5-methyl-2-propan-2-ylindazole.

Molecular Properties

Compound Name3-(bromomethyl)-5-methyl-2-propan-2-ylindazole
PubChem CID84729829
Molecular FormulaC12H15BrN2
Molecular Weight267.17 g/mol
Exact Mass266.04
IUPAC Name3-(bromomethyl)-5-methyl-2-propan-2-ylindazole
SMILESCc1ccc2nn(C(C)C)c(CBr)c2c1
InChIInChI=1S/C12H15BrN2/c1-8(2)15-12(7-13)10-6-9(3)4-5-11(10)14-15/h4-6,8H,7H2,1-3H3
InChIKeyGBNZVSWQDGLGQO-UHFFFAOYSA-N
XLogP3.82
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 53.82
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 3-(bromomethyl)-5-methyl-2-propan-2-ylindazole?
The IUPAC name of 3-(bromomethyl)-5-methyl-2-propan-2-ylindazole (CID 84729829) is 3-(bromomethyl)-5-methyl-2-propan-2-ylindazole.
What is the SMILES notation for 3-(bromomethyl)-5-methyl-2-propan-2-ylindazole?
The canonical SMILES for 3-(bromomethyl)-5-methyl-2-propan-2-ylindazole is Cc1ccc2nn(C(C)C)c(CBr)c2c1.
What is the InChIKey of 3-(bromomethyl)-5-methyl-2-propan-2-ylindazole?
The InChIKey is GBNZVSWQDGLGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2/c1-8(2)15-12(7-13)10-6-9(3)4-5-11(10)14-15/h4-6,8H,7H2,1-3H3.
What are the key properties of 3-(bromomethyl)-5-methyl-2-propan-2-ylindazole?
3-(bromomethyl)-5-methyl-2-propan-2-ylindazole has a molecular weight of 267.17 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-5-methyl-2-propan-2-ylindazole is sourced from PubChem (CID 84729829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).