5-fluoro-1-[5-(trifluoromethyl)-3-pyridinyl]indazole

C13H7F4N3 — CID 90252954

IUPAC5-fluoro-1-[5-(trifluoromethyl)-3-pyridinyl]indazole
SMILESFc1ccc2c(cnn2-c2cncc(C(F)(F)F)c2)c1
InChIInChI=1S/C13H7F4N3/c14-10-1-2-12-8(3-10)5-19-20(12)11-4-9(6-18-7-11)13(15,16)17/h1-7H
InChIKeyGDPQZMCZGDFFAU-UHFFFAOYSA-N
MW281.21 g/mol
LogP3.58
Rot. Bonds1

About 5-fluoro-1-[5-(trifluoromethyl)-3-pyridinyl]indazole

5-fluoro-1-[5-(trifluoromethyl)-3-pyridinyl]indazole (PubChem CID 90252954) has the molecular formula C13H7F4N3 and a molecular weight of 281.21 g/mol. Its IUPAC name is 5-fluoro-1-[5-(trifluoromethyl)-3-pyridinyl]indazole.

Molecular Properties

Compound Name5-fluoro-1-[5-(trifluoromethyl)-3-pyridinyl]indazole
PubChem CID90252954
Molecular FormulaC13H7F4N3
Molecular Weight281.21 g/mol
Exact Mass281.06
IUPAC Name5-fluoro-1-[5-(trifluoromethyl)-3-pyridinyl]indazole
SMILESFc1ccc2c(cnn2-c2cncc(C(F)(F)F)c2)c1
InChIInChI=1S/C13H7F4N3/c14-10-1-2-12-8(3-10)5-19-20(12)11-4-9(6-18-7-11)13(15,16)17/h1-7H
InChIKeyGDPQZMCZGDFFAU-UHFFFAOYSA-N
XLogP3.58
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.21
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[5-(trifluoromethyl)-3-pyridinyl]indazole?
The IUPAC name of 5-fluoro-1-[5-(trifluoromethyl)-3-pyridinyl]indazole (CID 90252954) is 5-fluoro-1-[5-(trifluoromethyl)-3-pyridinyl]indazole.
What is the SMILES notation for 5-fluoro-1-[5-(trifluoromethyl)-3-pyridinyl]indazole?
The canonical SMILES for 5-fluoro-1-[5-(trifluoromethyl)-3-pyridinyl]indazole is Fc1ccc2c(cnn2-c2cncc(C(F)(F)F)c2)c1.
What is the InChIKey of 5-fluoro-1-[5-(trifluoromethyl)-3-pyridinyl]indazole?
The InChIKey is GDPQZMCZGDFFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F4N3/c14-10-1-2-12-8(3-10)5-19-20(12)11-4-9(6-18-7-11)13(15,16)17/h1-7H.
What are the key properties of 5-fluoro-1-[5-(trifluoromethyl)-3-pyridinyl]indazole?
5-fluoro-1-[5-(trifluoromethyl)-3-pyridinyl]indazole has a molecular weight of 281.21 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[5-(trifluoromethyl)-3-pyridinyl]indazole is sourced from PubChem (CID 90252954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).