3,6-dibromo-1-methylindazole

C8H6Br2N2 — CID 76846072

IUPAC3,6-dibromo-1-methylindazole
SMILESCn1nc(Br)c2ccc(Br)cc21
InChIInChI=1S/C8H6Br2N2/c1-12-7-4-5(9)2-3-6(7)8(10)11-12/h2-4H,1H3
InChIKeySLOIWCYHKMLLGV-UHFFFAOYSA-N
MW289.96 g/mol
LogP3.10
Rot. Bonds

About 3,6-dibromo-1-methylindazole

3,6-dibromo-1-methylindazole (PubChem CID 76846072) has the molecular formula C8H6Br2N2 and a molecular weight of 289.96 g/mol. Its IUPAC name is 3,6-dibromo-1-methylindazole.

Molecular Properties

Compound Name3,6-dibromo-1-methylindazole
PubChem CID76846072
Molecular FormulaC8H6Br2N2
Molecular Weight289.96 g/mol
Exact Mass287.89
IUPAC Name3,6-dibromo-1-methylindazole
SMILESCn1nc(Br)c2ccc(Br)cc21
InChIInChI=1S/C8H6Br2N2/c1-12-7-4-5(9)2-3-6(7)8(10)11-12/h2-4H,1H3
InChIKeySLOIWCYHKMLLGV-UHFFFAOYSA-N
XLogP3.10
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.96
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-1-methylindazol-3-amine
CID 46835549
6-bromo-1,3-dimethylindazole;ethane
CID 145062136
6-bromo-3-(bromomethyl)-1-methylindazole
CID 171846635
6-bromo-3-(1-fluoroethyl)-1-methylindazole
CID 84708995
6-bromo-1-methylindazole-3-carbaldehyde
CID 83912445
2,7-dibromo-9-methylcarbazole
CID 11851387
3-(6-bromo-1-methylindazol-3-yl)prop-2-yn-1-ol
CID 121272653
2-(3-bromo-1-methylindazol-6-yl)propanoic acid
CID 84730683
3-(3-bromo-1-methylindazol-6-yl)-1,2-oxazol-5-amine
CID 117472955
3-bromo-1-methyl-6-piperidin-4-yloxyindazole
CID 177142361
N-(3-bromo-1-methylindazol-6-yl)prop-2-enamide
CID 166431642
3-bromo-1-methyl-6-pyrrolidin-3-ylindazole
CID 117449510

Frequently Asked Questions

What is the IUPAC name of 3,6-dibromo-1-methylindazole?
The IUPAC name of 3,6-dibromo-1-methylindazole (CID 76846072) is 3,6-dibromo-1-methylindazole.
What is the SMILES notation for 3,6-dibromo-1-methylindazole?
The canonical SMILES for 3,6-dibromo-1-methylindazole is Cn1nc(Br)c2ccc(Br)cc21.
What is the InChIKey of 3,6-dibromo-1-methylindazole?
The InChIKey is SLOIWCYHKMLLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2N2/c1-12-7-4-5(9)2-3-6(7)8(10)11-12/h2-4H,1H3.
What are the key properties of 3,6-dibromo-1-methylindazole?
3,6-dibromo-1-methylindazole has a molecular weight of 289.96 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibromo-1-methylindazole is sourced from PubChem (CID 76846072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).