6-bromo-3-fluoro-4-methoxy-2-methylindazole

C9H8BrFN2O — CID 126681012

IUPAC6-bromo-3-fluoro-4-methoxy-2-methylindazole
SMILESCOc1cc(Br)cc2nn(C)c(F)c12
InChIInChI=1S/C9H8BrFN2O/c1-13-9(11)8-6(12-13)3-5(10)4-7(8)14-2/h3-4H,1-2H3
InChIKeyVWOREONZZVJLTP-UHFFFAOYSA-N
MW259.08 g/mol
LogP2.48
Rot. Bonds1

About 6-bromo-3-fluoro-4-methoxy-2-methylindazole

6-bromo-3-fluoro-4-methoxy-2-methylindazole (PubChem CID 126681012) has the molecular formula C9H8BrFN2O and a molecular weight of 259.08 g/mol. Its IUPAC name is 6-bromo-3-fluoro-4-methoxy-2-methylindazole.

Molecular Properties

Compound Name6-bromo-3-fluoro-4-methoxy-2-methylindazole
PubChem CID126681012
Molecular FormulaC9H8BrFN2O
Molecular Weight259.08 g/mol
Exact Mass257.98
IUPAC Name6-bromo-3-fluoro-4-methoxy-2-methylindazole
SMILESCOc1cc(Br)cc2nn(C)c(F)c12
InChIInChI=1S/C9H8BrFN2O/c1-13-9(11)8-6(12-13)3-5(10)4-7(8)14-2/h3-4H,1-2H3
InChIKeyVWOREONZZVJLTP-UHFFFAOYSA-N
XLogP2.48
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.08
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-fluoro-4-methoxy-2-methylindazole?
The IUPAC name of 6-bromo-3-fluoro-4-methoxy-2-methylindazole (CID 126681012) is 6-bromo-3-fluoro-4-methoxy-2-methylindazole.
What is the SMILES notation for 6-bromo-3-fluoro-4-methoxy-2-methylindazole?
The canonical SMILES for 6-bromo-3-fluoro-4-methoxy-2-methylindazole is COc1cc(Br)cc2nn(C)c(F)c12.
What is the InChIKey of 6-bromo-3-fluoro-4-methoxy-2-methylindazole?
The InChIKey is VWOREONZZVJLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFN2O/c1-13-9(11)8-6(12-13)3-5(10)4-7(8)14-2/h3-4H,1-2H3.
What are the key properties of 6-bromo-3-fluoro-4-methoxy-2-methylindazole?
6-bromo-3-fluoro-4-methoxy-2-methylindazole has a molecular weight of 259.08 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-fluoro-4-methoxy-2-methylindazole is sourced from PubChem (CID 126681012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).