1-(3-bromo-2-methylpropyl)-6-methylindazole

C12H15BrN2 — CID 118871699

IUPAC1-(3-bromo-2-methylpropyl)-6-methylindazole
SMILESCc1ccc2cnn(CC(C)CBr)c2c1
InChIInChI=1S/C12H15BrN2/c1-9-3-4-11-7-14-15(12(11)5-9)8-10(2)6-13/h3-5,7,10H,6,8H2,1-2H3
InChIKeyVFICKHWQJAXGJA-UHFFFAOYSA-N
MW267.17 g/mol
LogP3.38
Rot. Bonds3

About 1-(3-bromo-2-methylpropyl)-6-methylindazole

1-(3-bromo-2-methylpropyl)-6-methylindazole (PubChem CID 118871699) has the molecular formula C12H15BrN2 and a molecular weight of 267.17 g/mol. Its IUPAC name is 1-(3-bromo-2-methylpropyl)-6-methylindazole.

Molecular Properties

Compound Name1-(3-bromo-2-methylpropyl)-6-methylindazole
PubChem CID118871699
Molecular FormulaC12H15BrN2
Molecular Weight267.17 g/mol
Exact Mass266.04
IUPAC Name1-(3-bromo-2-methylpropyl)-6-methylindazole
SMILESCc1ccc2cnn(CC(C)CBr)c2c1
InChIInChI=1S/C12H15BrN2/c1-9-3-4-11-7-14-15(12(11)5-9)8-10(2)6-13/h3-5,7,10H,6,8H2,1-2H3
InChIKeyVFICKHWQJAXGJA-UHFFFAOYSA-N
XLogP3.38
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxypropyl)-6-methylindazole
CID 66596206
1-[(2R)-3-chloro-2-methylpropyl]indazole
CID 118871643
2-[2-(6-methylindazol-1-yl)ethylamino]ethanol
CID 129023158
1-[(2R)-3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]-5-methylindazole
CID 118871711
1-[2-(bromomethyl)pentyl]-6-nitroindazole
CID 65010798
(2S)-1-(6-methylsulfonylindazol-1-yl)propan-2-amine
CID 10220646
N-(4-methylphenyl)-1-(2-methylpropyl)indazol-5-amine
CID 67413957
1,5-dimethylindazole;ethane
CID 90788862
1-bromo-5-methylindazole
CID 150964557
5-methyl-1-prop-2-ynylindazole
CID 58763635
(2S)-1-(6-nitroindazol-1-yl)propan-2-ol
CID 106932950
N-[(2-bromophenyl)methyl]-2-(6-methylindazol-1-yl)acetamide
CID 22509900

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methylpropyl)-6-methylindazole?
The IUPAC name of 1-(3-bromo-2-methylpropyl)-6-methylindazole (CID 118871699) is 1-(3-bromo-2-methylpropyl)-6-methylindazole.
What is the SMILES notation for 1-(3-bromo-2-methylpropyl)-6-methylindazole?
The canonical SMILES for 1-(3-bromo-2-methylpropyl)-6-methylindazole is Cc1ccc2cnn(CC(C)CBr)c2c1.
What is the InChIKey of 1-(3-bromo-2-methylpropyl)-6-methylindazole?
The InChIKey is VFICKHWQJAXGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2/c1-9-3-4-11-7-14-15(12(11)5-9)8-10(2)6-13/h3-5,7,10H,6,8H2,1-2H3.
What are the key properties of 1-(3-bromo-2-methylpropyl)-6-methylindazole?
1-(3-bromo-2-methylpropyl)-6-methylindazole has a molecular weight of 267.17 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methylpropyl)-6-methylindazole is sourced from PubChem (CID 118871699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).