5-bromo-1-methylindazole

C8H7BrN2 — CID 22558725

IUPAC5-bromo-1-methylindazole
SMILESCn1ncc2cc(Br)ccc21
InChIInChI=1S/C8H7BrN2/c1-11-8-3-2-7(9)4-6(8)5-10-11/h2-5H,1H3
InChIKeyRMCHMXPTUMFFBZ-UHFFFAOYSA-N
MW211.06 g/mol
LogP2.34
Rot. Bonds

About 5-bromo-1-methylindazole

5-bromo-1-methylindazole (PubChem CID 22558725) has the molecular formula C8H7BrN2 and a molecular weight of 211.06 g/mol. Its IUPAC name is 5-bromo-1-methylindazole.

Molecular Properties

Compound Name5-bromo-1-methylindazole
PubChem CID22558725
Molecular FormulaC8H7BrN2
Molecular Weight211.06 g/mol
Exact Mass209.98
IUPAC Name5-bromo-1-methylindazole
SMILESCn1ncc2cc(Br)ccc21
InChIInChI=1S/C8H7BrN2/c1-11-8-3-2-7(9)4-6(8)5-10-11/h2-5H,1H3
InChIKeyRMCHMXPTUMFFBZ-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 3244150
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CID 22558986
CID 22558986
CID 22559031
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CID 840433
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CID 1214668
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CID 10542372
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CID 10711464
CID 10711464

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methylindazole?
The IUPAC name of 5-bromo-1-methylindazole (CID 22558725) is 5-bromo-1-methylindazole.
What is the SMILES notation for 5-bromo-1-methylindazole?
The canonical SMILES for 5-bromo-1-methylindazole is Cn1ncc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1-methylindazole?
The InChIKey is RMCHMXPTUMFFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2/c1-11-8-3-2-7(9)4-6(8)5-10-11/h2-5H,1H3.
What are the key properties of 5-bromo-1-methylindazole?
5-bromo-1-methylindazole has a molecular weight of 211.06 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methylindazole is sourced from PubChem (CID 22558725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).