methyl 5-fluoro-6-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridine-2-carboxylate

C13H9FN4O2 — CID 150593100

IUPACmethyl 5-fluoro-6-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(F)c(-c2nnc3ccccn23)n1
InChIInChI=1S/C13H9FN4O2/c1-20-13(19)9-6-5-8(14)11(15-9)12-17-16-10-4-2-3-7-18(10)12/h2-7H,1H3
InChIKeyIQGZRRPJCXJNPD-UHFFFAOYSA-N
MW272.24 g/mol
LogP1.72
Rot. Bonds2

About methyl 5-fluoro-6-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridine-2-carboxylate

methyl 5-fluoro-6-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridine-2-carboxylate (PubChem CID 150593100) has the molecular formula C13H9FN4O2 and a molecular weight of 272.24 g/mol. Its IUPAC name is methyl 5-fluoro-6-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-fluoro-6-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridine-2-carboxylate
PubChem CID150593100
Molecular FormulaC13H9FN4O2
Molecular Weight272.24 g/mol
Exact Mass272.07
IUPAC Namemethyl 5-fluoro-6-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(F)c(-c2nnc3ccccn23)n1
InChIInChI=1S/C13H9FN4O2/c1-20-13(19)9-6-5-8(14)11(15-9)12-17-16-10-4-2-3-7-18(10)12/h2-7H,1H3
InChIKeyIQGZRRPJCXJNPD-UHFFFAOYSA-N
XLogP1.72
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.24
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-fluoro-6-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 5-fluoro-6-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridine-2-carboxylate (CID 150593100) is methyl 5-fluoro-6-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-fluoro-6-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-fluoro-6-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridine-2-carboxylate is COC(=O)c1ccc(F)c(-c2nnc3ccccn23)n1.
What is the InChIKey of methyl 5-fluoro-6-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridine-2-carboxylate?
The InChIKey is IQGZRRPJCXJNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4O2/c1-20-13(19)9-6-5-8(14)11(15-9)12-17-16-10-4-2-3-7-18(10)12/h2-7H,1H3.
What are the key properties of methyl 5-fluoro-6-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridine-2-carboxylate?
methyl 5-fluoro-6-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridine-2-carboxylate has a molecular weight of 272.24 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-fluoro-6-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyridine-2-carboxylate is sourced from PubChem (CID 150593100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).