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

C13H7ClF3N3 — CID 117139760

IUPAC6-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(F)c1cccc(-c2nnc3ccc(Cl)cn23)c1
InChIInChI=1S/C13H7ClF3N3/c14-10-4-5-11-18-19-12(20(11)7-10)8-2-1-3-9(6-8)13(15,16)17/h1-7H
InChIKeyVHSRRILKEYZEOV-UHFFFAOYSA-N
MW297.67 g/mol
LogP4.07
Rot. Bonds1

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

6-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117139760) has the molecular formula C13H7ClF3N3 and a molecular weight of 297.67 g/mol. Its IUPAC name is 6-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117139760
Molecular FormulaC13H7ClF3N3
Molecular Weight297.67 g/mol
Exact Mass297.03
IUPAC Name6-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(F)c1cccc(-c2nnc3ccc(Cl)cn23)c1
InChIInChI=1S/C13H7ClF3N3/c14-10-4-5-11-18-19-12(20(11)7-10)8-2-1-3-9(6-8)13(15,16)17/h1-7H
InChIKeyVHSRRILKEYZEOV-UHFFFAOYSA-N
XLogP4.07
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.67
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid
CID 117158435
6-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 14467852
8-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117147104
2-[4-[[3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]propan-2-ol
CID 71235303
3-[3,5-bis(trifluoromethyl)phenyl]-N-[(4-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134798531
1-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]quinoline
CID 699626
3-[3-(trifluoromethyl)phenyl]-1,2,4,5,10,11-hexazatricyclo[7.3.0.02,6]dodeca-3,5,7,9,11-pentaene
CID 45197545
5-chloro-2-[3-(trifluoromethyl)phenyl]aniline
CID 79018103
3-(2,3-dichlorophenyl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 699185
1,4-dichloro-2-[3-(trifluoromethyl)phenyl]benzene
CID 118992050
1-chloro-8-methyl-3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine
CID 117252517
ethyl 1-[3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]piperidine-4-carboxylate
CID 134799912

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 117139760) is 6-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine is FC(F)(F)c1cccc(-c2nnc3ccc(Cl)cn23)c1.
What is the InChIKey of 6-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is VHSRRILKEYZEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF3N3/c14-10-4-5-11-18-19-12(20(11)7-10)8-2-1-3-9(6-8)13(15,16)17/h1-7H.
What are the key properties of 6-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine?
6-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 297.67 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117139760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).