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

C14H8F5N3O — CID 66849729

IUPAC3-(difluoromethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)c1nnc2ccc(-c3ccc(OC(F)(F)F)cc3)cn12
InChIInChI=1S/C14H8F5N3O/c15-12(16)13-21-20-11-6-3-9(7-22(11)13)8-1-4-10(5-2-8)23-14(17,18)19/h1-7,12H
InChIKeyOZZHJNXIYBSROR-UHFFFAOYSA-N
MW329.23 g/mol
LogP4.23
Rot. Bonds3

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

3-(difluoromethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 66849729) has the molecular formula C14H8F5N3O and a molecular weight of 329.23 g/mol. Its IUPAC name is 3-(difluoromethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(difluoromethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID66849729
Molecular FormulaC14H8F5N3O
Molecular Weight329.23 g/mol
Exact Mass329.06
IUPAC Name3-(difluoromethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESFC(F)c1nnc2ccc(-c3ccc(OC(F)(F)F)cc3)cn12
InChIInChI=1S/C14H8F5N3O/c15-12(16)13-21-20-11-6-3-9(7-22(11)13)8-1-4-10(5-2-8)23-14(17,18)19/h1-7,12H
InChIKeyOZZHJNXIYBSROR-UHFFFAOYSA-N
XLogP4.23
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-Methoxy-phenyl)-3-phenyl-pyrazolo[1,5-a]pyrimidine
CID 5329337
6-(4-Methoxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 5329457
6-(4-Methoxyphenyl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine
CID 5329458
GS-458967
CID 58118983
3-(Cyclopropylmethyl)-7-(4-phenylcyclohexyl)oxy-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117971665
3-(Cyclopropylmethyl)-7-(3-phenylcyclobutyl)oxy-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117971685
3-(Cyclopropylmethyl)-7-[3-(4-fluorophenyl)cyclobutyl]oxy-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117972056
3,6-Bis(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 134179263
7-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 1480420
1,2,4-Triazolo(3,4-a)isoquinoline, 8,9-dimethoxy-3-methyl-
CID 206669
2-[6-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329459
4-[3-(3-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329465

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(difluoromethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 66849729) is 3-(difluoromethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(difluoromethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(difluoromethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine is FC(F)c1nnc2ccc(-c3ccc(OC(F)(F)F)cc3)cn12.
What is the InChIKey of 3-(difluoromethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is OZZHJNXIYBSROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F5N3O/c15-12(16)13-21-20-11-6-3-9(7-22(11)13)8-1-4-10(5-2-8)23-14(17,18)19/h1-7,12H.
What are the key properties of 3-(difluoromethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine?
3-(difluoromethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 329.23 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 66849729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).