5-bromo-1-(4-fluorophenyl)-6-methoxyindazole

C14H10BrFN2O — CID 67069711

IUPAC5-bromo-1-(4-fluorophenyl)-6-methoxyindazole
SMILESCOc1cc2c(cnn2-c2ccc(F)cc2)cc1Br
InChIInChI=1S/C14H10BrFN2O/c1-19-14-7-13-9(6-12(14)15)8-17-18(13)11-4-2-10(16)3-5-11/h2-8H,1H3
InChIKeyVQCWLEBNQPTSBA-UHFFFAOYSA-N
MW321.15 g/mol
LogP3.94
Rot. Bonds2

About 5-bromo-1-(4-fluorophenyl)-6-methoxyindazole

5-bromo-1-(4-fluorophenyl)-6-methoxyindazole (PubChem CID 67069711) has the molecular formula C14H10BrFN2O and a molecular weight of 321.15 g/mol. Its IUPAC name is 5-bromo-1-(4-fluorophenyl)-6-methoxyindazole.

Molecular Properties

Compound Name5-bromo-1-(4-fluorophenyl)-6-methoxyindazole
PubChem CID67069711
Molecular FormulaC14H10BrFN2O
Molecular Weight321.15 g/mol
Exact Mass320.00
IUPAC Name5-bromo-1-(4-fluorophenyl)-6-methoxyindazole
SMILESCOc1cc2c(cnn2-c2ccc(F)cc2)cc1Br
InChIInChI=1S/C14H10BrFN2O/c1-19-14-7-13-9(6-12(14)15)8-17-18(13)11-4-2-10(16)3-5-11/h2-8H,1H3
InChIKeyVQCWLEBNQPTSBA-UHFFFAOYSA-N
XLogP3.94
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.15
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(4-fluorophenyl)-6-methoxyindazole?
The IUPAC name of 5-bromo-1-(4-fluorophenyl)-6-methoxyindazole (CID 67069711) is 5-bromo-1-(4-fluorophenyl)-6-methoxyindazole.
What is the SMILES notation for 5-bromo-1-(4-fluorophenyl)-6-methoxyindazole?
The canonical SMILES for 5-bromo-1-(4-fluorophenyl)-6-methoxyindazole is COc1cc2c(cnn2-c2ccc(F)cc2)cc1Br.
What is the InChIKey of 5-bromo-1-(4-fluorophenyl)-6-methoxyindazole?
The InChIKey is VQCWLEBNQPTSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O/c1-19-14-7-13-9(6-12(14)15)8-17-18(13)11-4-2-10(16)3-5-11/h2-8H,1H3.
What are the key properties of 5-bromo-1-(4-fluorophenyl)-6-methoxyindazole?
5-bromo-1-(4-fluorophenyl)-6-methoxyindazole has a molecular weight of 321.15 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(4-fluorophenyl)-6-methoxyindazole is sourced from PubChem (CID 67069711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).