3-cyclopropyl-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid

C10H8FN3O2 — CID 58074679

IUPAC3-cyclopropyl-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1cc(F)cn2c(C3CC3)nnc12
InChIInChI=1S/C10H8FN3O2/c11-6-3-7(10(15)16)9-13-12-8(5-1-2-5)14(9)4-6/h3-5H,1-2H2,(H,15,16)
InChIKeyHDSXFDCYMUGAPZ-UHFFFAOYSA-N
MW221.19 g/mol
LogP1.44
Rot. Bonds2

About 3-cyclopropyl-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid

3-cyclopropyl-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid (PubChem CID 58074679) has the molecular formula C10H8FN3O2 and a molecular weight of 221.19 g/mol. Its IUPAC name is 3-cyclopropyl-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name3-cyclopropyl-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
PubChem CID58074679
Molecular FormulaC10H8FN3O2
Molecular Weight221.19 g/mol
Exact Mass221.06
IUPAC Name3-cyclopropyl-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1cc(F)cn2c(C3CC3)nnc12
InChIInChI=1S/C10H8FN3O2/c11-6-3-7(10(15)16)9-13-12-8(5-1-2-5)14(9)4-6/h3-5H,1-2H2,(H,15,16)
InChIKeyHDSXFDCYMUGAPZ-UHFFFAOYSA-N
XLogP1.44
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-cyclopropyl-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
The IUPAC name of 3-cyclopropyl-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid (CID 58074679) is 3-cyclopropyl-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 3-cyclopropyl-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
The canonical SMILES for 3-cyclopropyl-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid is O=C(O)c1cc(F)cn2c(C3CC3)nnc12.
What is the InChIKey of 3-cyclopropyl-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
The InChIKey is HDSXFDCYMUGAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O2/c11-6-3-7(10(15)16)9-13-12-8(5-1-2-5)14(9)4-6/h3-5H,1-2H2,(H,15,16).
What are the key properties of 3-cyclopropyl-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
3-cyclopropyl-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid has a molecular weight of 221.19 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 58074679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).