6-bromo-4-fluoro-7-methoxy-1H-indazole

C8H6BrFN2O — CID 168932023

IUPAC6-bromo-4-fluoro-7-methoxy-1H-indazole
SMILESCOc1c(Br)cc(F)c2cn[nH]c12
InChIInChI=1S/C8H6BrFN2O/c1-13-8-5(9)2-6(10)4-3-11-12-7(4)8/h2-3H,1H3,(H,11,12)
InChIKeyOBGNWUIPUODXNJ-UHFFFAOYSA-N
MW245.05 g/mol
LogP2.47
Rot. Bonds1

About 6-bromo-4-fluoro-7-methoxy-1H-indazole

6-bromo-4-fluoro-7-methoxy-1H-indazole (PubChem CID 168932023) has the molecular formula C8H6BrFN2O and a molecular weight of 245.05 g/mol. Its IUPAC name is 6-bromo-4-fluoro-7-methoxy-1H-indazole.

Molecular Properties

Compound Name6-bromo-4-fluoro-7-methoxy-1H-indazole
PubChem CID168932023
Molecular FormulaC8H6BrFN2O
Molecular Weight245.05 g/mol
Exact Mass243.96
IUPAC Name6-bromo-4-fluoro-7-methoxy-1H-indazole
SMILESCOc1c(Br)cc(F)c2cn[nH]c12
InChIInChI=1S/C8H6BrFN2O/c1-13-8-5(9)2-6(10)4-3-11-12-7(4)8/h2-3H,1H3,(H,11,12)
InChIKeyOBGNWUIPUODXNJ-UHFFFAOYSA-N
XLogP2.47
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.05
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-fluoro-7-methoxy-1H-indazole?
The IUPAC name of 6-bromo-4-fluoro-7-methoxy-1H-indazole (CID 168932023) is 6-bromo-4-fluoro-7-methoxy-1H-indazole.
What is the SMILES notation for 6-bromo-4-fluoro-7-methoxy-1H-indazole?
The canonical SMILES for 6-bromo-4-fluoro-7-methoxy-1H-indazole is COc1c(Br)cc(F)c2cn[nH]c12.
What is the InChIKey of 6-bromo-4-fluoro-7-methoxy-1H-indazole?
The InChIKey is OBGNWUIPUODXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrFN2O/c1-13-8-5(9)2-6(10)4-3-11-12-7(4)8/h2-3H,1H3,(H,11,12).
What are the key properties of 6-bromo-4-fluoro-7-methoxy-1H-indazole?
6-bromo-4-fluoro-7-methoxy-1H-indazole has a molecular weight of 245.05 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-fluoro-7-methoxy-1H-indazole is sourced from PubChem (CID 168932023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).