2-fluoro-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetic acid

C8H10FN3O3 — CID 81297610

IUPAC2-fluoro-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetic acid
SMILESO=C(O)C(F)n1nc2n(c1=O)CCCC2
InChIInChI=1S/C8H10FN3O3/c9-6(7(13)14)12-8(15)11-4-2-1-3-5(11)10-12/h6H,1-4H2,(H,13,14)
InChIKeyIGMBHBCFOXRHEN-UHFFFAOYSA-N
MW215.18 g/mol
LogP-0.07
Rot. Bonds2

About 2-fluoro-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetic acid

2-fluoro-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetic acid (PubChem CID 81297610) has the molecular formula C8H10FN3O3 and a molecular weight of 215.18 g/mol. Its IUPAC name is 2-fluoro-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetic acid
PubChem CID81297610
Molecular FormulaC8H10FN3O3
Molecular Weight215.18 g/mol
Exact Mass215.07
IUPAC Name2-fluoro-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetic acid
SMILESO=C(O)C(F)n1nc2n(c1=O)CCCC2
InChIInChI=1S/C8H10FN3O3/c9-6(7(13)14)12-8(15)11-4-2-1-3-5(11)10-12/h6H,1-4H2,(H,13,14)
InChIKeyIGMBHBCFOXRHEN-UHFFFAOYSA-N
XLogP-0.07
TPSA77.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.18
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetic acid?
The IUPAC name of 2-fluoro-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetic acid (CID 81297610) is 2-fluoro-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetic acid?
The canonical SMILES for 2-fluoro-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetic acid is O=C(O)C(F)n1nc2n(c1=O)CCCC2.
What is the InChIKey of 2-fluoro-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetic acid?
The InChIKey is IGMBHBCFOXRHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O3/c9-6(7(13)14)12-8(15)11-4-2-1-3-5(11)10-12/h6H,1-4H2,(H,13,14).
What are the key properties of 2-fluoro-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetic acid?
2-fluoro-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetic acid has a molecular weight of 215.18 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetic acid is sourced from PubChem (CID 81297610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).