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

C14H10BrFN2O — CID 155783133

IUPAC4-bromo-1-(4-fluorophenyl)-6-methoxyindazole
SMILESCOc1cc(Br)c2cnn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C14H10BrFN2O/c1-19-11-6-13(15)12-8-17-18(14(12)7-11)10-4-2-9(16)3-5-10/h2-8H,1H3
InChIKeyMCDKCPSKXMRQCG-UHFFFAOYSA-N
MW321.15 g/mol
LogP3.94
Rot. Bonds2

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

4-bromo-1-(4-fluorophenyl)-6-methoxyindazole (PubChem CID 155783133) has the molecular formula C14H10BrFN2O and a molecular weight of 321.15 g/mol. Its IUPAC name is 4-bromo-1-(4-fluorophenyl)-6-methoxyindazole.

Molecular Properties

Compound Name4-bromo-1-(4-fluorophenyl)-6-methoxyindazole
PubChem CID155783133
Molecular FormulaC14H10BrFN2O
Molecular Weight321.15 g/mol
Exact Mass320.00
IUPAC Name4-bromo-1-(4-fluorophenyl)-6-methoxyindazole
SMILESCOc1cc(Br)c2cnn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C14H10BrFN2O/c1-19-11-6-13(15)12-8-17-18(14(12)7-11)10-4-2-9(16)3-5-10/h2-8H,1H3
InChIKeyMCDKCPSKXMRQCG-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 4-bromo-1-(4-fluorophenyl)-6-methoxyindazole?
The IUPAC name of 4-bromo-1-(4-fluorophenyl)-6-methoxyindazole (CID 155783133) is 4-bromo-1-(4-fluorophenyl)-6-methoxyindazole.
What is the SMILES notation for 4-bromo-1-(4-fluorophenyl)-6-methoxyindazole?
The canonical SMILES for 4-bromo-1-(4-fluorophenyl)-6-methoxyindazole is COc1cc(Br)c2cnn(-c3ccc(F)cc3)c2c1.
What is the InChIKey of 4-bromo-1-(4-fluorophenyl)-6-methoxyindazole?
The InChIKey is MCDKCPSKXMRQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O/c1-19-11-6-13(15)12-8-17-18(14(12)7-11)10-4-2-9(16)3-5-10/h2-8H,1H3.
What are the key properties of 4-bromo-1-(4-fluorophenyl)-6-methoxyindazole?
4-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 4-bromo-1-(4-fluorophenyl)-6-methoxyindazole is sourced from PubChem (CID 155783133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).