2-chloro-8-[2-fluoro-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine

C13H6ClF4N3 — CID 67481476

IUPAC2-chloro-8-[2-fluoro-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESFc1ccc(C(F)(F)F)cc1-c1cccn2nc(Cl)nc12
InChIInChI=1S/C13H6ClF4N3/c14-12-19-11-8(2-1-5-21(11)20-12)9-6-7(13(16,17)18)3-4-10(9)15/h1-6H
InChIKeyIUOKPESYNAOTKG-UHFFFAOYSA-N
MW315.66 g/mol
LogP4.21
Rot. Bonds1

About 2-chloro-8-[2-fluoro-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine

2-chloro-8-[2-fluoro-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 67481476) has the molecular formula C13H6ClF4N3 and a molecular weight of 315.66 g/mol. Its IUPAC name is 2-chloro-8-[2-fluoro-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-chloro-8-[2-fluoro-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID67481476
Molecular FormulaC13H6ClF4N3
Molecular Weight315.66 g/mol
Exact Mass315.02
IUPAC Name2-chloro-8-[2-fluoro-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESFc1ccc(C(F)(F)F)cc1-c1cccn2nc(Cl)nc12
InChIInChI=1S/C13H6ClF4N3/c14-12-19-11-8(2-1-5-21(11)20-12)9-6-7(13(16,17)18)3-4-10(9)15/h1-6H
InChIKeyIUOKPESYNAOTKG-UHFFFAOYSA-N
XLogP4.21
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.66
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-Chloro-6-fluorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 683376
4-[6-(4-Methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329456
Pyrazolo[1,5-a]pyrimidine, 3-phenyl-6-(4-pyridinyl)-
CID 5329460
2-{3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl}pyridine
CID 5329461
Pyrazolo[1,5-a]pyrimidine, 3-(4-fluorophenyl)-6-(4-pyridinyl)-
CID 5329462
4-[3-(3-Chloro-4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329464
4-[3-(Cyclopent-1-en-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329473
4-[3-(Cyclohex-1-en-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329474
3-(Cyclopropylmethyl)-7-((4-phenyl-1-piperidinyl)methyl)-8-(trifluoromethyl)-1,2,4-triazolo(4,3-a)pyridine
CID 49822115
AhR agonist 2
CID 163196386
6-Bromo-2-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 168290165
6-(4-Chlorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 1474423

Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-[2-fluoro-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-chloro-8-[2-fluoro-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 67481476) is 2-chloro-8-[2-fluoro-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-chloro-8-[2-fluoro-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-chloro-8-[2-fluoro-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine is Fc1ccc(C(F)(F)F)cc1-c1cccn2nc(Cl)nc12.
What is the InChIKey of 2-chloro-8-[2-fluoro-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is IUOKPESYNAOTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF4N3/c14-12-19-11-8(2-1-5-21(11)20-12)9-6-7(13(16,17)18)3-4-10(9)15/h1-6H.
What are the key properties of 2-chloro-8-[2-fluoro-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine?
2-chloro-8-[2-fluoro-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 315.66 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-[2-fluoro-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 67481476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).