2-fluoro-4-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzoic acid

C14H10FN3O3 — CID 106698772

IUPAC2-fluoro-4-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzoic acid
SMILESO=C(O)c1ccc(Cn2nc3ccccn3c2=O)cc1F
InChIInChI=1S/C14H10FN3O3/c15-11-7-9(4-5-10(11)13(19)20)8-18-14(21)17-6-2-1-3-12(17)16-18/h1-7H,8H2,(H,19,20)
InChIKeyWAFGKPBMCHTEHX-UHFFFAOYSA-N
MW287.25 g/mol
LogP1.38
Rot. Bonds3

About 2-fluoro-4-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzoic acid

2-fluoro-4-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzoic acid (PubChem CID 106698772) has the molecular formula C14H10FN3O3 and a molecular weight of 287.25 g/mol. Its IUPAC name is 2-fluoro-4-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzoic acid.

Molecular Properties

Compound Name2-fluoro-4-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzoic acid
PubChem CID106698772
Molecular FormulaC14H10FN3O3
Molecular Weight287.25 g/mol
Exact Mass287.07
IUPAC Name2-fluoro-4-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzoic acid
SMILESO=C(O)c1ccc(Cn2nc3ccccn3c2=O)cc1F
InChIInChI=1S/C14H10FN3O3/c15-11-7-9(4-5-10(11)13(19)20)8-18-14(21)17-6-2-1-3-12(17)16-18/h1-7H,8H2,(H,19,20)
InChIKeyWAFGKPBMCHTEHX-UHFFFAOYSA-N
XLogP1.38
TPSA76.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzoic acid?
The IUPAC name of 2-fluoro-4-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzoic acid (CID 106698772) is 2-fluoro-4-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzoic acid.
What is the SMILES notation for 2-fluoro-4-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzoic acid?
The canonical SMILES for 2-fluoro-4-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzoic acid is O=C(O)c1ccc(Cn2nc3ccccn3c2=O)cc1F.
What is the InChIKey of 2-fluoro-4-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzoic acid?
The InChIKey is WAFGKPBMCHTEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O3/c15-11-7-9(4-5-10(11)13(19)20)8-18-14(21)17-6-2-1-3-12(17)16-18/h1-7H,8H2,(H,19,20).
What are the key properties of 2-fluoro-4-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzoic acid?
2-fluoro-4-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzoic acid has a molecular weight of 287.25 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]benzoic acid is sourced from PubChem (CID 106698772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).