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

C15H9F6N3O — CID 87178657

IUPAC6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(F)COc1ccc(-c2ccc3nnc(C(F)(F)F)n3c2)cc1
InChIInChI=1S/C15H9F6N3O/c16-14(17,18)8-25-11-4-1-9(2-5-11)10-3-6-12-22-23-13(15(19,20)21)24(12)7-10/h1-7H,8H2
InChIKeyVBGPPFADVWRQPN-UHFFFAOYSA-N
MW361.25 g/mol
LogP4.36
Rot. Bonds3

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

6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 87178657) has the molecular formula C15H9F6N3O and a molecular weight of 361.25 g/mol. Its IUPAC name is 6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID87178657
Molecular FormulaC15H9F6N3O
Molecular Weight361.25 g/mol
Exact Mass361.06
IUPAC Name6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)(F)COc1ccc(-c2ccc3nnc(C(F)(F)F)n3c2)cc1
InChIInChI=1S/C15H9F6N3O/c16-14(17,18)8-25-11-4-1-9(2-5-11)10-3-6-12-22-23-13(15(19,20)21)24(12)7-10/h1-7H,8H2
InChIKeyVBGPPFADVWRQPN-UHFFFAOYSA-N
XLogP4.36
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.25
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 87178657) is 6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is FC(F)(F)COc1ccc(-c2ccc3nnc(C(F)(F)F)n3c2)cc1.
What is the InChIKey of 6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is VBGPPFADVWRQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F6N3O/c16-14(17,18)8-25-11-4-1-9(2-5-11)10-3-6-12-22-23-13(15(19,20)21)24(12)7-10/h1-7H,8H2.
What are the key properties of 6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 361.25 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,2,2-trifluoroethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 87178657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).