3-bromo-2,6-dimethylindazole

C9H9BrN2 — CID 84725646

IUPAC3-bromo-2,6-dimethylindazole
SMILESCc1ccc2c(Br)n(C)nc2c1
InChIInChI=1S/C9H9BrN2/c1-6-3-4-7-8(5-6)11-12(2)9(7)10/h3-5H,1-2H3
InChIKeyLAQBZZZZSBPINK-UHFFFAOYSA-N
MW225.09 g/mol
LogP2.64
Rot. Bonds

About 3-bromo-2,6-dimethylindazole

3-bromo-2,6-dimethylindazole (PubChem CID 84725646) has the molecular formula C9H9BrN2 and a molecular weight of 225.09 g/mol. Its IUPAC name is 3-bromo-2,6-dimethylindazole.

Molecular Properties

Compound Name3-bromo-2,6-dimethylindazole
PubChem CID84725646
Molecular FormulaC9H9BrN2
Molecular Weight225.09 g/mol
Exact Mass223.99
IUPAC Name3-bromo-2,6-dimethylindazole
SMILESCc1ccc2c(Br)n(C)nc2c1
InChIInChI=1S/C9H9BrN2/c1-6-3-4-7-8(5-6)11-12(2)9(7)10/h3-5H,1-2H3
InChIKeyLAQBZZZZSBPINK-UHFFFAOYSA-N
XLogP2.64
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.09
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-iodo-2,6-dimethylindazole
CID 90223545
3-bromo-6-methoxy-2-methylindazole
CID 84728133
(2,6-dimethylindazol-3-yl)methanamine
CID 84717621
3-(3-bromo-6-methylindazol-2-yl)propan-1-amine
CID 84729921
1-(3-bromo-2-methylindazol-6-yl)cyclopropan-1-amine
CID 84729766
2-(2,6-dimethylindazol-3-yl)propanoic acid
CID 84724269
2-(cyclopropylmethyl)-3,6-dimethylindazole;ethane
CID 176566562
2-(3,6-dimethylindazol-2-yl)acetamide
CID 176997387
1-(2,5-dimethylindazol-3-yl)ethanol
CID 133058650
1-(2,5-dimethylindazol-3-yl)ethanone
CID 133055810
3-(2-hydroxyethyl)-7-methylquinazolin-4-one
CID 117264165
3-(2-aminoethyl)-7-methylquinazolin-4-one
CID 117264406

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,6-dimethylindazole?
The IUPAC name of 3-bromo-2,6-dimethylindazole (CID 84725646) is 3-bromo-2,6-dimethylindazole.
What is the SMILES notation for 3-bromo-2,6-dimethylindazole?
The canonical SMILES for 3-bromo-2,6-dimethylindazole is Cc1ccc2c(Br)n(C)nc2c1.
What is the InChIKey of 3-bromo-2,6-dimethylindazole?
The InChIKey is LAQBZZZZSBPINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2/c1-6-3-4-7-8(5-6)11-12(2)9(7)10/h3-5H,1-2H3.
What are the key properties of 3-bromo-2,6-dimethylindazole?
3-bromo-2,6-dimethylindazole has a molecular weight of 225.09 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,6-dimethylindazole is sourced from PubChem (CID 84725646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).