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

C14H8F3N3O2 — CID 117145311

IUPAC3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccn2c(-c3ccc(C(F)(F)F)cc3)nnc2c1
InChIInChI=1S/C14H8F3N3O2/c15-14(16,17)10-3-1-8(2-4-10)12-19-18-11-7-9(13(21)22)5-6-20(11)12/h1-7H,(H,21,22)
InChIKeyURNITONQINQYIH-UHFFFAOYSA-N
MW307.23 g/mol
LogP3.11
Rot. Bonds2

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

3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid (PubChem CID 117145311) has the molecular formula C14H8F3N3O2 and a molecular weight of 307.23 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
PubChem CID117145311
Molecular FormulaC14H8F3N3O2
Molecular Weight307.23 g/mol
Exact Mass307.06
IUPAC Name3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccn2c(-c3ccc(C(F)(F)F)cc3)nnc2c1
InChIInChI=1S/C14H8F3N3O2/c15-14(16,17)10-3-1-8(2-4-10)12-19-18-11-7-9(13(21)22)5-6-20(11)12/h1-7H,(H,21,22)
InChIKeyURNITONQINQYIH-UHFFFAOYSA-N
XLogP3.11
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 82380497
7-(trifluoromethyl)-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 3696703
4-(7-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)benzoic acid
CID 117158556
2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 117135507
7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylic acid
CID 105488862
7-chloro-3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidine
CID 43327083
methyl 3-pyridin-4-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate
CID 117145359
3-methyl-2-(trifluoromethyl)imidazo[1,2-a]pyridine-7-carboxylic acid
CID 141394707
3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 83641424
3-ethanethioyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 134420827
3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 117144958
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanone
CID 53196908

Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid?
The IUPAC name of 3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid (CID 117145311) is 3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid?
The canonical SMILES for 3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid is O=C(O)c1ccn2c(-c3ccc(C(F)(F)F)cc3)nnc2c1.
What is the InChIKey of 3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid?
The InChIKey is URNITONQINQYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3O2/c15-14(16,17)10-3-1-8(2-4-10)12-19-18-11-7-9(13(21)22)5-6-20(11)12/h1-7H,(H,21,22).
What are the key properties of 3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid?
3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid has a molecular weight of 307.23 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 117145311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).