[6-bromo-1-(4-fluorophenyl)indazol-4-yl] acetate

C15H10BrFN2O2 — CID 174657913

IUPAC[6-bromo-1-(4-fluorophenyl)indazol-4-yl] acetate
SMILESCC(=O)Oc1cc(Br)cc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C15H10BrFN2O2/c1-9(20)21-15-7-10(16)6-14-13(15)8-18-19(14)12-4-2-11(17)3-5-12/h2-8H,1H3
InChIKeyDREHPSIOBNSNKL-UHFFFAOYSA-N
MW349.16 g/mol
LogP3.85
Rot. Bonds2

About [6-bromo-1-(4-fluorophenyl)indazol-4-yl] acetate

[6-bromo-1-(4-fluorophenyl)indazol-4-yl] acetate (PubChem CID 174657913) has the molecular formula C15H10BrFN2O2 and a molecular weight of 349.16 g/mol. Its IUPAC name is [6-bromo-1-(4-fluorophenyl)indazol-4-yl] acetate.

Molecular Properties

Compound Name[6-bromo-1-(4-fluorophenyl)indazol-4-yl] acetate
PubChem CID174657913
Molecular FormulaC15H10BrFN2O2
Molecular Weight349.16 g/mol
Exact Mass347.99
IUPAC Name[6-bromo-1-(4-fluorophenyl)indazol-4-yl] acetate
SMILESCC(=O)Oc1cc(Br)cc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C15H10BrFN2O2/c1-9(20)21-15-7-10(16)6-14-13(15)8-18-19(14)12-4-2-11(17)3-5-12/h2-8H,1H3
InChIKeyDREHPSIOBNSNKL-UHFFFAOYSA-N
XLogP3.85
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.16
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-bromo-1-(4-fluorophenyl)indazol-4-yl] acetate?
The IUPAC name of [6-bromo-1-(4-fluorophenyl)indazol-4-yl] acetate (CID 174657913) is [6-bromo-1-(4-fluorophenyl)indazol-4-yl] acetate.
What is the SMILES notation for [6-bromo-1-(4-fluorophenyl)indazol-4-yl] acetate?
The canonical SMILES for [6-bromo-1-(4-fluorophenyl)indazol-4-yl] acetate is CC(=O)Oc1cc(Br)cc2c1cnn2-c1ccc(F)cc1.
What is the InChIKey of [6-bromo-1-(4-fluorophenyl)indazol-4-yl] acetate?
The InChIKey is DREHPSIOBNSNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O2/c1-9(20)21-15-7-10(16)6-14-13(15)8-18-19(14)12-4-2-11(17)3-5-12/h2-8H,1H3.
What are the key properties of [6-bromo-1-(4-fluorophenyl)indazol-4-yl] acetate?
[6-bromo-1-(4-fluorophenyl)indazol-4-yl] acetate has a molecular weight of 349.16 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-1-(4-fluorophenyl)indazol-4-yl] acetate is sourced from PubChem (CID 174657913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).