ethyl 6-fluoro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate

C9H8FN3O2 — CID 118674805

IUPACethyl 6-fluoro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1nnc2ccc(F)cn12
InChIInChI=1S/C9H8FN3O2/c1-2-15-9(14)8-12-11-7-4-3-6(10)5-13(7)8/h3-5H,2H2,1H3
InChIKeyWINAHRZOFCWYSU-UHFFFAOYSA-N
MW209.18 g/mol
LogP1.05
Rot. Bonds2

About ethyl 6-fluoro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate

ethyl 6-fluoro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate (PubChem CID 118674805) has the molecular formula C9H8FN3O2 and a molecular weight of 209.18 g/mol. Its IUPAC name is ethyl 6-fluoro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-fluoro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate
PubChem CID118674805
Molecular FormulaC9H8FN3O2
Molecular Weight209.18 g/mol
Exact Mass209.06
IUPAC Nameethyl 6-fluoro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1nnc2ccc(F)cn12
InChIInChI=1S/C9H8FN3O2/c1-2-15-9(14)8-12-11-7-4-3-6(10)5-13(7)8/h3-5H,2H2,1H3
InChIKeyWINAHRZOFCWYSU-UHFFFAOYSA-N
XLogP1.05
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-methyl-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate
CID 118674755
ethyl 6-fluoro-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylate
CID 82356768
ethyl 3-fluoropyrido[1,2-b]isoindole-6-carboxylate
CID 122209885
ethyl 4-[(2,4-difluorophenyl)methyl]-5-methyl-1,2,4-triazole-3-carboxylate
CID 83231960
ethyl 4-[2-(4-fluoro-2-methylphenyl)ethyl]-5-methyl-1,2,4-triazole-3-carboxylate
CID 83232820
2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid
CID 105448678
ethyl 1-[(4-fluorophenyl)methyl]tetrazole-5-carboxylate
CID 79318481
6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-amine
CID 105429663
ethyl 6-fluoroimidazo[1,5-a]pyridine-1-carboxylate
CID 155920991
ethyl 4-fluorobenzoate;hydrochloride
CID 175130638
ethyl 3-pyrimidin-5-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 25219507
ethyl 5-fluoro-1-methylbenzimidazole-2-carboxylate
CID 63358168

Frequently Asked Questions

What is the IUPAC name of ethyl 6-fluoro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-fluoro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate (CID 118674805) is ethyl 6-fluoro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-fluoro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-fluoro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate is CCOC(=O)c1nnc2ccc(F)cn12.
What is the InChIKey of ethyl 6-fluoro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate?
The InChIKey is WINAHRZOFCWYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O2/c1-2-15-9(14)8-12-11-7-4-3-6(10)5-13(7)8/h3-5H,2H2,1H3.
What are the key properties of ethyl 6-fluoro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate?
ethyl 6-fluoro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate has a molecular weight of 209.18 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-fluoro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate is sourced from PubChem (CID 118674805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).