4-bromo-1-(2-fluoro-4-methylphenyl)-7-methoxyindazole

C15H12BrFN2O — CID 123322312

IUPAC4-bromo-1-(2-fluoro-4-methylphenyl)-7-methoxyindazole
SMILESCOc1ccc(Br)c2cnn(-c3ccc(C)cc3F)c12
InChIInChI=1S/C15H12BrFN2O/c1-9-3-5-13(12(17)7-9)19-15-10(8-18-19)11(16)4-6-14(15)20-2/h3-8H,1-2H3
InChIKeyUQPSXZJHUWECEW-UHFFFAOYSA-N
MW335.18 g/mol
LogP4.24
Rot. Bonds2

About 4-bromo-1-(2-fluoro-4-methylphenyl)-7-methoxyindazole

4-bromo-1-(2-fluoro-4-methylphenyl)-7-methoxyindazole (PubChem CID 123322312) has the molecular formula C15H12BrFN2O and a molecular weight of 335.18 g/mol. Its IUPAC name is 4-bromo-1-(2-fluoro-4-methylphenyl)-7-methoxyindazole.

Molecular Properties

Compound Name4-bromo-1-(2-fluoro-4-methylphenyl)-7-methoxyindazole
PubChem CID123322312
Molecular FormulaC15H12BrFN2O
Molecular Weight335.18 g/mol
Exact Mass334.01
IUPAC Name4-bromo-1-(2-fluoro-4-methylphenyl)-7-methoxyindazole
SMILESCOc1ccc(Br)c2cnn(-c3ccc(C)cc3F)c12
InChIInChI=1S/C15H12BrFN2O/c1-9-3-5-13(12(17)7-9)19-15-10(8-18-19)11(16)4-6-14(15)20-2/h3-8H,1-2H3
InChIKeyUQPSXZJHUWECEW-UHFFFAOYSA-N
XLogP4.24
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.18
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(2-fluoro-4-methylphenyl)-7-methoxyindazole?
The IUPAC name of 4-bromo-1-(2-fluoro-4-methylphenyl)-7-methoxyindazole (CID 123322312) is 4-bromo-1-(2-fluoro-4-methylphenyl)-7-methoxyindazole.
What is the SMILES notation for 4-bromo-1-(2-fluoro-4-methylphenyl)-7-methoxyindazole?
The canonical SMILES for 4-bromo-1-(2-fluoro-4-methylphenyl)-7-methoxyindazole is COc1ccc(Br)c2cnn(-c3ccc(C)cc3F)c12.
What is the InChIKey of 4-bromo-1-(2-fluoro-4-methylphenyl)-7-methoxyindazole?
The InChIKey is UQPSXZJHUWECEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2O/c1-9-3-5-13(12(17)7-9)19-15-10(8-18-19)11(16)4-6-14(15)20-2/h3-8H,1-2H3.
What are the key properties of 4-bromo-1-(2-fluoro-4-methylphenyl)-7-methoxyindazole?
4-bromo-1-(2-fluoro-4-methylphenyl)-7-methoxyindazole has a molecular weight of 335.18 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(2-fluoro-4-methylphenyl)-7-methoxyindazole is sourced from PubChem (CID 123322312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).