6-[3-fluoro-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine

C13H7F4N3 — CID 154846640

IUPAC6-[3-fluoro-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESFc1cc(-c2ccc3nncn3c2)ccc1C(F)(F)F
InChIInChI=1S/C13H7F4N3/c14-11-5-8(1-3-10(11)13(15,16)17)9-2-4-12-19-18-7-20(12)6-9/h1-7H
InChIKeyIVAZIRMBRXDDRY-UHFFFAOYSA-N
MW281.21 g/mol
LogP3.55
Rot. Bonds1

About 6-[3-fluoro-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine

6-[3-fluoro-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 154846640) has the molecular formula C13H7F4N3 and a molecular weight of 281.21 g/mol. Its IUPAC name is 6-[3-fluoro-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-[3-fluoro-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID154846640
Molecular FormulaC13H7F4N3
Molecular Weight281.21 g/mol
Exact Mass281.06
IUPAC Name6-[3-fluoro-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESFc1cc(-c2ccc3nncn3c2)ccc1C(F)(F)F
InChIInChI=1S/C13H7F4N3/c14-11-5-8(1-3-10(11)13(15,16)17)9-2-4-12-19-18-7-20(12)6-9/h1-7H
InChIKeyIVAZIRMBRXDDRY-UHFFFAOYSA-N
XLogP3.55
TPSA30.19 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 ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[3-fluoro-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-[3-fluoro-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 154846640) is 6-[3-fluoro-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-[3-fluoro-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-[3-fluoro-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine is Fc1cc(-c2ccc3nncn3c2)ccc1C(F)(F)F.
What is the InChIKey of 6-[3-fluoro-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is IVAZIRMBRXDDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F4N3/c14-11-5-8(1-3-10(11)13(15,16)17)9-2-4-12-19-18-7-20(12)6-9/h1-7H.
What are the key properties of 6-[3-fluoro-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine?
6-[3-fluoro-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 281.21 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-fluoro-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 154846640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).