3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

C8H5F2N3O2 — CID 62388626

IUPAC3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2nnc(C(F)F)n2c1
InChIInChI=1S/C8H5F2N3O2/c9-6(10)7-12-11-5-2-1-4(8(14)15)3-13(5)7/h1-3,6H,(H,14,15)
InChIKeyCMRYYTDJRPPXJO-UHFFFAOYSA-N
MW213.14 g/mol
LogP1.37
Rot. Bonds2

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

3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (PubChem CID 62388626) has the molecular formula C8H5F2N3O2 and a molecular weight of 213.14 g/mol. Its IUPAC name is 3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
PubChem CID62388626
Molecular FormulaC8H5F2N3O2
Molecular Weight213.14 g/mol
Exact Mass213.03
IUPAC Name3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
SMILESO=C(O)c1ccc2nnc(C(F)F)n2c1
InChIInChI=1S/C8H5F2N3O2/c9-6(10)7-12-11-5-2-1-4(8(14)15)3-13(5)7/h1-3,6H,(H,14,15)
InChIKeyCMRYYTDJRPPXJO-UHFFFAOYSA-N
XLogP1.37
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.14
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The IUPAC name of 3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (CID 62388626) is 3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The canonical SMILES for 3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is O=C(O)c1ccc2nnc(C(F)F)n2c1.
What is the InChIKey of 3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The InChIKey is CMRYYTDJRPPXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2N3O2/c9-6(10)7-12-11-5-2-1-4(8(14)15)3-13(5)7/h1-3,6H,(H,14,15).
What are the key properties of 3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid has a molecular weight of 213.14 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 62388626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).