6-bromo-3-(bromomethyl)-1-methylindazole

C9H8Br2N2 — CID 171846635

IUPAC6-bromo-3-(bromomethyl)-1-methylindazole
SMILESCn1nc(CBr)c2ccc(Br)cc21
InChIInChI=1S/C9H8Br2N2/c1-13-9-4-6(11)2-3-7(9)8(5-10)12-13/h2-4H,5H2,1H3
InChIKeyGLOXYDWNZBGMFO-UHFFFAOYSA-N
MW303.99 g/mol
LogP3.23
Rot. Bonds1

About 6-bromo-3-(bromomethyl)-1-methylindazole

6-bromo-3-(bromomethyl)-1-methylindazole (PubChem CID 171846635) has the molecular formula C9H8Br2N2 and a molecular weight of 303.99 g/mol. Its IUPAC name is 6-bromo-3-(bromomethyl)-1-methylindazole.

Molecular Properties

Compound Name6-bromo-3-(bromomethyl)-1-methylindazole
PubChem CID171846635
Molecular FormulaC9H8Br2N2
Molecular Weight303.99 g/mol
Exact Mass301.91
IUPAC Name6-bromo-3-(bromomethyl)-1-methylindazole
SMILESCn1nc(CBr)c2ccc(Br)cc21
InChIInChI=1S/C9H8Br2N2/c1-13-9-4-6(11)2-3-7(9)8(5-10)12-13/h2-4H,5H2,1H3
InChIKeyGLOXYDWNZBGMFO-UHFFFAOYSA-N
XLogP3.23
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.99
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-bromo-1,3-dimethylindazole;ethane
CID 145062136
3,6-dibromo-1-methylindazole
CID 76846072
6-bromo-1-methylindazol-3-amine
CID 46835549
6-bromo-3-(1-fluoroethyl)-1-methylindazole
CID 84708995
6-bromo-1-methylindazole-3-carbaldehyde
CID 83912445
3-(6-bromo-1-methylindazol-3-yl)prop-2-yn-1-ol
CID 121272653
2,7-dibromo-9-methylcarbazole
CID 11851387
5-bromo-3-(2-isocyanoethyl)-1-methylindazole
CID 83488780
3-[(6-bromo-1-methylindazol-3-yl)amino]propanoic acid
CID 154941998
1-(5-bromo-2-fluorophenyl)-2-(1-methylindazol-3-yl)ethanone
CID 114894285
methyl 2-(5-bromo-1-methylindazol-3-yl)acetate
CID 129278070
6-bromo-3-ethylindazole-1-carboxylic acid
CID 137497469

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(bromomethyl)-1-methylindazole?
The IUPAC name of 6-bromo-3-(bromomethyl)-1-methylindazole (CID 171846635) is 6-bromo-3-(bromomethyl)-1-methylindazole.
What is the SMILES notation for 6-bromo-3-(bromomethyl)-1-methylindazole?
The canonical SMILES for 6-bromo-3-(bromomethyl)-1-methylindazole is Cn1nc(CBr)c2ccc(Br)cc21.
What is the InChIKey of 6-bromo-3-(bromomethyl)-1-methylindazole?
The InChIKey is GLOXYDWNZBGMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2N2/c1-13-9-4-6(11)2-3-7(9)8(5-10)12-13/h2-4H,5H2,1H3.
What are the key properties of 6-bromo-3-(bromomethyl)-1-methylindazole?
6-bromo-3-(bromomethyl)-1-methylindazole has a molecular weight of 303.99 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(bromomethyl)-1-methylindazole is sourced from PubChem (CID 171846635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).