1-bromo-5-methylindazole

C8H7BrN2 — CID 150964557

IUPAC1-bromo-5-methylindazole
SMILESCc1ccc2c(cnn2Br)c1
InChIInChI=1S/C8H7BrN2/c1-6-2-3-8-7(4-6)5-10-11(8)9/h2-5H,1H3
InChIKeyLMUOBASWKMXYOG-UHFFFAOYSA-N
MW211.06 g/mol
LogP2.50
Rot. Bonds

About 1-bromo-5-methylindazole

1-bromo-5-methylindazole (PubChem CID 150964557) has the molecular formula C8H7BrN2 and a molecular weight of 211.06 g/mol. Its IUPAC name is 1-bromo-5-methylindazole.

Molecular Properties

Compound Name1-bromo-5-methylindazole
PubChem CID150964557
Molecular FormulaC8H7BrN2
Molecular Weight211.06 g/mol
Exact Mass209.98
IUPAC Name1-bromo-5-methylindazole
SMILESCc1ccc2c(cnn2Br)c1
InChIInChI=1S/C8H7BrN2/c1-6-2-3-8-7(4-6)5-10-11(8)9/h2-5H,1H3
InChIKeyLMUOBASWKMXYOG-UHFFFAOYSA-N
XLogP2.50
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.06
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-dimethylindazole;ethane
CID 90788862
1-bromo-5-cyclopropylindazole
CID 135156225
5-methyl-1-prop-2-ynylindazole
CID 58763635
1-(4-fluoropyrrolidin-3-yl)-5-methylindazole;hydrochloride
CID 126485700
methyl 2-(5-methylindazol-1-yl)acetate
CID 13337773
5-(5-methylindazol-1-yl)-1-oxo-1,2-thiazol-3-one
CID 140960375
5-methyl-N-phenylindazole-1-carboxamide
CID 53002296
1-(3-bromo-2-methylpropyl)-6-methylindazole
CID 118871699
[1-(4-methylphenyl)indazol-5-yl]methanol
CID 134163742
cyclopropyl-[4-(5-methylindazol-1-yl)piperidin-1-yl]methanone
CID 142607961
5-bromo-1-(4-methylphenyl)sulfonylindazole
CID 58137189
1-bromo-5-methylbenzimidazole
CID 119086156

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-methylindazole?
The IUPAC name of 1-bromo-5-methylindazole (CID 150964557) is 1-bromo-5-methylindazole.
What is the SMILES notation for 1-bromo-5-methylindazole?
The canonical SMILES for 1-bromo-5-methylindazole is Cc1ccc2c(cnn2Br)c1.
What is the InChIKey of 1-bromo-5-methylindazole?
The InChIKey is LMUOBASWKMXYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2/c1-6-2-3-8-7(4-6)5-10-11(8)9/h2-5H,1H3.
What are the key properties of 1-bromo-5-methylindazole?
1-bromo-5-methylindazole has a molecular weight of 211.06 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-methylindazole is sourced from PubChem (CID 150964557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).