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

C10H10FN3O2 — CID 58074754

IUPAC6-fluoro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
SMILESCC(C)c1nnc2c(C(=O)O)cc(F)cn12
InChIInChI=1S/C10H10FN3O2/c1-5(2)8-12-13-9-7(10(15)16)3-6(11)4-14(8)9/h3-5H,1-2H3,(H,15,16)
InChIKeyAOGYZEZSGWVKMN-UHFFFAOYSA-N
MW223.21 g/mol
LogP1.69
Rot. Bonds2

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

6-fluoro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid (PubChem CID 58074754) has the molecular formula C10H10FN3O2 and a molecular weight of 223.21 g/mol. Its IUPAC name is 6-fluoro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
PubChem CID58074754
Molecular FormulaC10H10FN3O2
Molecular Weight223.21 g/mol
Exact Mass223.08
IUPAC Name6-fluoro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
SMILESCC(C)c1nnc2c(C(=O)O)cc(F)cn12
InChIInChI=1S/C10H10FN3O2/c1-5(2)8-12-13-9-7(10(15)16)3-6(11)4-14(8)9/h3-5H,1-2H3,(H,15,16)
InChIKeyAOGYZEZSGWVKMN-UHFFFAOYSA-N
XLogP1.69
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
The IUPAC name of 6-fluoro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid (CID 58074754) is 6-fluoro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 6-fluoro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
The canonical SMILES for 6-fluoro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid is CC(C)c1nnc2c(C(=O)O)cc(F)cn12.
What is the InChIKey of 6-fluoro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
The InChIKey is AOGYZEZSGWVKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O2/c1-5(2)8-12-13-9-7(10(15)16)3-6(11)4-14(8)9/h3-5H,1-2H3,(H,15,16).
What are the key properties of 6-fluoro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid?
6-fluoro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid has a molecular weight of 223.21 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 58074754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).