7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid

C8H4F3N3O2 — CID 105488862

IUPAC7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1nnc2cc(C(F)(F)F)ccn12
InChIInChI=1S/C8H4F3N3O2/c9-8(10,11)4-1-2-14-5(3-4)12-13-6(14)7(15)16/h1-3H,(H,15,16)
InChIKeyLUOJLIZFMTXYQI-UHFFFAOYSA-N
MW231.13 g/mol
LogP1.45
Rot. Bonds1

About 7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid

7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid (PubChem CID 105488862) has the molecular formula C8H4F3N3O2 and a molecular weight of 231.13 g/mol. Its IUPAC name is 7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid
PubChem CID105488862
Molecular FormulaC8H4F3N3O2
Molecular Weight231.13 g/mol
Exact Mass231.03
IUPAC Name7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1nnc2cc(C(F)(F)F)ccn12
InChIInChI=1S/C8H4F3N3O2/c9-8(10,11)4-1-2-14-5(3-4)12-13-6(14)7(15)16/h1-3H,(H,15,16)
InChIKeyLUOJLIZFMTXYQI-UHFFFAOYSA-N
XLogP1.45
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.13
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 71280482
4-oxo-8-(trifluoromethyl)pyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 115048141
7-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 3696703
3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 117145311
CID 175937217
CID 175937217
3-ethanethioyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 134420827
2-(methoxymethyl)-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 82529869
3-[(dimethylamino)methyl]-7-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 82530096
2-butyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 82529890
(E)-3-[2-chloro-7-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 82530136
6-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine-3-carboxylic acid
CID 83387250
2-amino-8-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115036986

Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid?
The IUPAC name of 7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid (CID 105488862) is 7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid?
The canonical SMILES for 7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid is O=C(O)c1nnc2cc(C(F)(F)F)ccn12.
What is the InChIKey of 7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid?
The InChIKey is LUOJLIZFMTXYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3N3O2/c9-8(10,11)4-1-2-14-5(3-4)12-13-6(14)7(15)16/h1-3H,(H,15,16).
What are the key properties of 7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid?
7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid has a molecular weight of 231.13 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 105488862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).