7-bromo-3-(fluoromethyl)-1-methylindazole

C9H8BrFN2 — CID 84703596

IUPAC7-bromo-3-(fluoromethyl)-1-methylindazole
SMILESCn1nc(CF)c2cccc(Br)c21
InChIInChI=1S/C9H8BrFN2/c1-13-9-6(8(5-11)12-13)3-2-4-7(9)10/h2-4H,5H2,1H3
InChIKeyXOPFDUBOMYZSTE-UHFFFAOYSA-N
MW243.08 g/mol
LogP2.81
Rot. Bonds1

About 7-bromo-3-(fluoromethyl)-1-methylindazole

7-bromo-3-(fluoromethyl)-1-methylindazole (PubChem CID 84703596) has the molecular formula C9H8BrFN2 and a molecular weight of 243.08 g/mol. Its IUPAC name is 7-bromo-3-(fluoromethyl)-1-methylindazole.

Molecular Properties

Compound Name7-bromo-3-(fluoromethyl)-1-methylindazole
PubChem CID84703596
Molecular FormulaC9H8BrFN2
Molecular Weight243.08 g/mol
Exact Mass241.99
IUPAC Name7-bromo-3-(fluoromethyl)-1-methylindazole
SMILESCn1nc(CF)c2cccc(Br)c21
InChIInChI=1S/C9H8BrFN2/c1-13-9-6(8(5-11)12-13)3-2-4-7(9)10/h2-4H,5H2,1H3
InChIKeyXOPFDUBOMYZSTE-UHFFFAOYSA-N
XLogP2.81
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.08
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(fluoromethyl)-1-methylindazole?
The IUPAC name of 7-bromo-3-(fluoromethyl)-1-methylindazole (CID 84703596) is 7-bromo-3-(fluoromethyl)-1-methylindazole.
What is the SMILES notation for 7-bromo-3-(fluoromethyl)-1-methylindazole?
The canonical SMILES for 7-bromo-3-(fluoromethyl)-1-methylindazole is Cn1nc(CF)c2cccc(Br)c21.
What is the InChIKey of 7-bromo-3-(fluoromethyl)-1-methylindazole?
The InChIKey is XOPFDUBOMYZSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFN2/c1-13-9-6(8(5-11)12-13)3-2-4-7(9)10/h2-4H,5H2,1H3.
What are the key properties of 7-bromo-3-(fluoromethyl)-1-methylindazole?
7-bromo-3-(fluoromethyl)-1-methylindazole has a molecular weight of 243.08 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(fluoromethyl)-1-methylindazole is sourced from PubChem (CID 84703596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).