4-bromo-6-methyl-1H-indazole

C8H7BrN2 — CID 24728801

IUPAC4-bromo-6-methyl-1H-indazole
SMILESCc1cc(Br)c2cn[nH]c2c1
InChIInChI=1S/C8H7BrN2/c1-5-2-7(9)6-4-10-11-8(6)3-5/h2-4H,1H3,(H,10,11)
InChIKeyWVLOLHQWIPXVBQ-UHFFFAOYSA-N
MW211.06 g/mol
LogP2.63
Rot. Bonds

About 4-bromo-6-methyl-1H-indazole

4-bromo-6-methyl-1H-indazole (PubChem CID 24728801) has the molecular formula C8H7BrN2 and a molecular weight of 211.06 g/mol. Its IUPAC name is 4-bromo-6-methyl-1H-indazole.

Molecular Properties

Compound Name4-bromo-6-methyl-1H-indazole
PubChem CID24728801
Molecular FormulaC8H7BrN2
Molecular Weight211.06 g/mol
Exact Mass209.98
IUPAC Name4-bromo-6-methyl-1H-indazole
SMILESCc1cc(Br)c2cn[nH]c2c1
InChIInChI=1S/C8H7BrN2/c1-5-2-7(9)6-4-10-11-8(6)3-5/h2-4H,1H3,(H,10,11)
InChIKeyWVLOLHQWIPXVBQ-UHFFFAOYSA-N
XLogP2.63
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.06
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-methyl-1H-indazole?
The IUPAC name of 4-bromo-6-methyl-1H-indazole (CID 24728801) is 4-bromo-6-methyl-1H-indazole.
What is the SMILES notation for 4-bromo-6-methyl-1H-indazole?
The canonical SMILES for 4-bromo-6-methyl-1H-indazole is Cc1cc(Br)c2cn[nH]c2c1.
What is the InChIKey of 4-bromo-6-methyl-1H-indazole?
The InChIKey is WVLOLHQWIPXVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2/c1-5-2-7(9)6-4-10-11-8(6)3-5/h2-4H,1H3,(H,10,11).
What are the key properties of 4-bromo-6-methyl-1H-indazole?
4-bromo-6-methyl-1H-indazole has a molecular weight of 211.06 g/mol, XLogP of 2.63, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-methyl-1H-indazole is sourced from PubChem (CID 24728801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).