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

C14H6ClF6N3O — CID 87178629

IUPAC6-[3-chloro-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(F)Oc1ccc(-c2ccc3nnc(C(F)(F)F)n3c2)cc1Cl
InChIInChI=1S/C14H6ClF6N3O/c15-9-5-7(1-3-10(9)25-14(19,20)21)8-2-4-11-22-23-12(13(16,17)18)24(11)6-8/h1-6H
InChIKeyFODLYORHHYAZKN-UHFFFAOYSA-N
MW381.66 g/mol
LogP4.97
Rot. Bonds2

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

6-[3-chloro-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 87178629) has the molecular formula C14H6ClF6N3O and a molecular weight of 381.66 g/mol. Its IUPAC name is 6-[3-chloro-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-[3-chloro-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID87178629
Molecular FormulaC14H6ClF6N3O
Molecular Weight381.66 g/mol
Exact Mass381.01
IUPAC Name6-[3-chloro-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(F)Oc1ccc(-c2ccc3nnc(C(F)(F)F)n3c2)cc1Cl
InChIInChI=1S/C14H6ClF6N3O/c15-9-5-7(1-3-10(9)25-14(19,20)21)8-2-4-11-22-23-12(13(16,17)18)24(11)6-8/h1-6H
InChIKeyFODLYORHHYAZKN-UHFFFAOYSA-N
XLogP4.97
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.66
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3-chloro-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-[3-chloro-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 87178629) is 6-[3-chloro-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-[3-chloro-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-[3-chloro-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is FC(F)(F)Oc1ccc(-c2ccc3nnc(C(F)(F)F)n3c2)cc1Cl.
What is the InChIKey of 6-[3-chloro-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is FODLYORHHYAZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6ClF6N3O/c15-9-5-7(1-3-10(9)25-14(19,20)21)8-2-4-11-22-23-12(13(16,17)18)24(11)6-8/h1-6H.
What are the key properties of 6-[3-chloro-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
6-[3-chloro-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 381.66 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-chloro-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 87178629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).