5-bromo-1-(4-fluorophenyl)-6-(trifluoromethyl)indazole

C14H7BrF4N2 — CID 168813334

IUPAC5-bromo-1-(4-fluorophenyl)-6-(trifluoromethyl)indazole
SMILESFc1ccc(-n2ncc3cc(Br)c(C(F)(F)F)cc32)cc1
InChIInChI=1S/C14H7BrF4N2/c15-12-5-8-7-20-21(10-3-1-9(16)2-4-10)13(8)6-11(12)14(17,18)19/h1-7H
InChIKeyGKRZAYYUYLJAJU-UHFFFAOYSA-N
MW359.12 g/mol
LogP4.95
Rot. Bonds1

About 5-bromo-1-(4-fluorophenyl)-6-(trifluoromethyl)indazole

5-bromo-1-(4-fluorophenyl)-6-(trifluoromethyl)indazole (PubChem CID 168813334) has the molecular formula C14H7BrF4N2 and a molecular weight of 359.12 g/mol. Its IUPAC name is 5-bromo-1-(4-fluorophenyl)-6-(trifluoromethyl)indazole.

Molecular Properties

Compound Name5-bromo-1-(4-fluorophenyl)-6-(trifluoromethyl)indazole
PubChem CID168813334
Molecular FormulaC14H7BrF4N2
Molecular Weight359.12 g/mol
Exact Mass357.97
IUPAC Name5-bromo-1-(4-fluorophenyl)-6-(trifluoromethyl)indazole
SMILESFc1ccc(-n2ncc3cc(Br)c(C(F)(F)F)cc32)cc1
InChIInChI=1S/C14H7BrF4N2/c15-12-5-8-7-20-21(10-3-1-9(16)2-4-10)13(8)6-11(12)14(17,18)19/h1-7H
InChIKeyGKRZAYYUYLJAJU-UHFFFAOYSA-N
XLogP4.95
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.12
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(4-fluorophenyl)-6-(trifluoromethyl)indazole?
The IUPAC name of 5-bromo-1-(4-fluorophenyl)-6-(trifluoromethyl)indazole (CID 168813334) is 5-bromo-1-(4-fluorophenyl)-6-(trifluoromethyl)indazole.
What is the SMILES notation for 5-bromo-1-(4-fluorophenyl)-6-(trifluoromethyl)indazole?
The canonical SMILES for 5-bromo-1-(4-fluorophenyl)-6-(trifluoromethyl)indazole is Fc1ccc(-n2ncc3cc(Br)c(C(F)(F)F)cc32)cc1.
What is the InChIKey of 5-bromo-1-(4-fluorophenyl)-6-(trifluoromethyl)indazole?
The InChIKey is GKRZAYYUYLJAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrF4N2/c15-12-5-8-7-20-21(10-3-1-9(16)2-4-10)13(8)6-11(12)14(17,18)19/h1-7H.
What are the key properties of 5-bromo-1-(4-fluorophenyl)-6-(trifluoromethyl)indazole?
5-bromo-1-(4-fluorophenyl)-6-(trifluoromethyl)indazole has a molecular weight of 359.12 g/mol, XLogP of 4.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(4-fluorophenyl)-6-(trifluoromethyl)indazole is sourced from PubChem (CID 168813334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).