6-bromo-1-(4-fluorophenyl)indazole-4-carboxylic acid

C14H8BrFN2O2 — CID 58138913

IUPAC6-bromo-1-(4-fluorophenyl)indazole-4-carboxylic acid
SMILESO=C(O)c1cc(Br)cc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C14H8BrFN2O2/c15-8-5-11(14(19)20)12-7-17-18(13(12)6-8)10-3-1-9(16)2-4-10/h1-7H,(H,19,20)
InChIKeyKMNLTMJOSKXILS-UHFFFAOYSA-N
MW335.13 g/mol
LogP3.63
Rot. Bonds2

About 6-bromo-1-(4-fluorophenyl)indazole-4-carboxylic acid

6-bromo-1-(4-fluorophenyl)indazole-4-carboxylic acid (PubChem CID 58138913) has the molecular formula C14H8BrFN2O2 and a molecular weight of 335.13 g/mol. Its IUPAC name is 6-bromo-1-(4-fluorophenyl)indazole-4-carboxylic acid.

Molecular Properties

Compound Name6-bromo-1-(4-fluorophenyl)indazole-4-carboxylic acid
PubChem CID58138913
Molecular FormulaC14H8BrFN2O2
Molecular Weight335.13 g/mol
Exact Mass333.98
IUPAC Name6-bromo-1-(4-fluorophenyl)indazole-4-carboxylic acid
SMILESO=C(O)c1cc(Br)cc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C14H8BrFN2O2/c15-8-5-11(14(19)20)12-7-17-18(13(12)6-8)10-3-1-9(16)2-4-10/h1-7H,(H,19,20)
InChIKeyKMNLTMJOSKXILS-UHFFFAOYSA-N
XLogP3.63
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.13
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(4-fluorophenyl)indazole-4-carboxylic acid?
The IUPAC name of 6-bromo-1-(4-fluorophenyl)indazole-4-carboxylic acid (CID 58138913) is 6-bromo-1-(4-fluorophenyl)indazole-4-carboxylic acid.
What is the SMILES notation for 6-bromo-1-(4-fluorophenyl)indazole-4-carboxylic acid?
The canonical SMILES for 6-bromo-1-(4-fluorophenyl)indazole-4-carboxylic acid is O=C(O)c1cc(Br)cc2c1cnn2-c1ccc(F)cc1.
What is the InChIKey of 6-bromo-1-(4-fluorophenyl)indazole-4-carboxylic acid?
The InChIKey is KMNLTMJOSKXILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrFN2O2/c15-8-5-11(14(19)20)12-7-17-18(13(12)6-8)10-3-1-9(16)2-4-10/h1-7H,(H,19,20).
What are the key properties of 6-bromo-1-(4-fluorophenyl)indazole-4-carboxylic acid?
6-bromo-1-(4-fluorophenyl)indazole-4-carboxylic acid has a molecular weight of 335.13 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(4-fluorophenyl)indazole-4-carboxylic acid is sourced from PubChem (CID 58138913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).