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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Related Compounds

4-[2-fluoro-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]-1,3-oxazolidin-2-one
CID 166340488
2-fluoro-4-(4-methylphenyl)-1-(trifluoromethyl)benzene
CID 21026890
1,3-dichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene
CID 134623705
6-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylpyridazin-3-amine
CID 107290472
5-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 59282961
3-chloro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridazine
CID 107290372
[3-(4-fluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazol-1-yl] thiohypofluorite
CID 145448708
3-[3-fluoro-4-(trifluoromethyl)phenyl]benzamide
CID 68758850
2-fluoro-4-[4-(sulfinatoamino)phenyl]-1-(trifluoromethyl)benzene
CID 69477389
5-[3-fluoro-4-(trifluoromethyl)phenyl]pyridine-2-carbonitrile
CID 25184445
6-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-indole
CID 90905265
1,2,4-trichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene
CID 134626732

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).