2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid

C8H4F3N3O2 — CID 82566906

IUPAC2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
SMILESO=C(O)c1cccc2nc(C(F)(F)F)nn12
InChIInChI=1S/C8H4F3N3O2/c9-8(10,11)7-12-5-3-1-2-4(6(15)16)14(5)13-7/h1-3H,(H,15,16)
InChIKeyNDEMSCRWWCOFRS-UHFFFAOYSA-N
MW231.13 g/mol
LogP1.45
Rot. Bonds1

About 2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid

2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid (PubChem CID 82566906) has the molecular formula C8H4F3N3O2 and a molecular weight of 231.13 g/mol. Its IUPAC name is 2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
PubChem CID82566906
Molecular FormulaC8H4F3N3O2
Molecular Weight231.13 g/mol
Exact Mass231.03
IUPAC Name2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
SMILESO=C(O)c1cccc2nc(C(F)(F)F)nn12
InChIInChI=1S/C8H4F3N3O2/c9-8(10,11)7-12-5-3-1-2-4(6(15)16)14(5)13-7/h1-3H,(H,15,16)
InChIKeyNDEMSCRWWCOFRS-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

5-Phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 655493
2,7-Dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 7061944
5-(4-Fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 781426
5-(4-Methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 3124928
5-(4-Fluorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 847248
5-(4-Fluorophenyl)-7-(pentafluoroethyl)pyrazolo(1,5-a)pyrimidine-2-carboxylic acid
CID 1259793
2-Methyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 19916195
6-(1H-pyrazol-1-yl)pyridine-2-carboxylic acid
CID 54594501
2-Methyl-(1,2,4)triazolo(1,5-a)pyridine-5-carboxylic acid
CID 59451908
1,3-dimethyl-1H-pyrazolo(3,4-b)pyridine-6-carboxylic acid
CID 61150426
6-(1H-1,2,4-triazol-1-yl)pyridine-2-carboxylic acid
CID 62253542
1-methyl-1H-pyrazolo[3,4-b]pyridine-6-carboxylic acid
CID 63772070

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The IUPAC name of 2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid (CID 82566906) is 2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The canonical SMILES for 2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid is O=C(O)c1cccc2nc(C(F)(F)F)nn12.
What is the InChIKey of 2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The InChIKey is NDEMSCRWWCOFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3N3O2/c9-8(10,11)7-12-5-3-1-2-4(6(15)16)14(5)13-7/h1-3H,(H,15,16).
What are the key properties of 2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-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 2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 82566906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).