4-bromo-5,7-dimethyl-1H-indazole

C9H9BrN2 — CID 70630386

IUPAC4-bromo-5,7-dimethyl-1H-indazole
SMILESCc1cc(C)c2[nH]ncc2c1Br
InChIInChI=1S/C9H9BrN2/c1-5-3-6(2)9-7(8(5)10)4-11-12-9/h3-4H,1-2H3,(H,11,12)
InChIKeySWEOZLQVOZMUCR-UHFFFAOYSA-N
MW225.09 g/mol
LogP2.94
Rot. Bonds

About 4-bromo-5,7-dimethyl-1H-indazole

4-bromo-5,7-dimethyl-1H-indazole (PubChem CID 70630386) has the molecular formula C9H9BrN2 and a molecular weight of 225.09 g/mol. Its IUPAC name is 4-bromo-5,7-dimethyl-1H-indazole.

Molecular Properties

Compound Name4-bromo-5,7-dimethyl-1H-indazole
PubChem CID70630386
Molecular FormulaC9H9BrN2
Molecular Weight225.09 g/mol
Exact Mass223.99
IUPAC Name4-bromo-5,7-dimethyl-1H-indazole
SMILESCc1cc(C)c2[nH]ncc2c1Br
InChIInChI=1S/C9H9BrN2/c1-5-3-6(2)9-7(8(5)10)4-11-12-9/h3-4H,1-2H3,(H,11,12)
InChIKeySWEOZLQVOZMUCR-UHFFFAOYSA-N
XLogP2.94
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.09
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5,7-dimethyl-1H-indazole?
The IUPAC name of 4-bromo-5,7-dimethyl-1H-indazole (CID 70630386) is 4-bromo-5,7-dimethyl-1H-indazole.
What is the SMILES notation for 4-bromo-5,7-dimethyl-1H-indazole?
The canonical SMILES for 4-bromo-5,7-dimethyl-1H-indazole is Cc1cc(C)c2[nH]ncc2c1Br.
What is the InChIKey of 4-bromo-5,7-dimethyl-1H-indazole?
The InChIKey is SWEOZLQVOZMUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2/c1-5-3-6(2)9-7(8(5)10)4-11-12-9/h3-4H,1-2H3,(H,11,12).
What are the key properties of 4-bromo-5,7-dimethyl-1H-indazole?
4-bromo-5,7-dimethyl-1H-indazole has a molecular weight of 225.09 g/mol, XLogP of 2.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5,7-dimethyl-1H-indazole is sourced from PubChem (CID 70630386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).