3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,4-difluorobenzoic acid

C13H8F2N4O2 — CID 169003930

IUPAC3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,4-difluorobenzoic acid
SMILESNc1nc2cc(-c3c(F)ccc(C(=O)O)c3F)ccn2n1
InChIInChI=1S/C13H8F2N4O2/c14-8-2-1-7(12(20)21)11(15)10(8)6-3-4-19-9(5-6)17-13(16)18-19/h1-5H,(H2,16,18)(H,20,21)
InChIKeyHYRRRHAIXIGDCM-UHFFFAOYSA-N
MW290.23 g/mol
LogP1.95
Rot. Bonds2

About 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,4-difluorobenzoic acid

3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,4-difluorobenzoic acid (PubChem CID 169003930) has the molecular formula C13H8F2N4O2 and a molecular weight of 290.23 g/mol. Its IUPAC name is 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,4-difluorobenzoic acid.

Molecular Properties

Compound Name3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,4-difluorobenzoic acid
PubChem CID169003930
Molecular FormulaC13H8F2N4O2
Molecular Weight290.23 g/mol
Exact Mass290.06
IUPAC Name3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,4-difluorobenzoic acid
SMILESNc1nc2cc(-c3c(F)ccc(C(=O)O)c3F)ccn2n1
InChIInChI=1S/C13H8F2N4O2/c14-8-2-1-7(12(20)21)11(15)10(8)6-3-4-19-9(5-6)17-13(16)18-19/h1-5H,(H2,16,18)(H,20,21)
InChIKeyHYRRRHAIXIGDCM-UHFFFAOYSA-N
XLogP1.95
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,4-difluorobenzoic acid?
The IUPAC name of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,4-difluorobenzoic acid (CID 169003930) is 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,4-difluorobenzoic acid.
What is the SMILES notation for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,4-difluorobenzoic acid?
The canonical SMILES for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,4-difluorobenzoic acid is Nc1nc2cc(-c3c(F)ccc(C(=O)O)c3F)ccn2n1.
What is the InChIKey of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,4-difluorobenzoic acid?
The InChIKey is HYRRRHAIXIGDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N4O2/c14-8-2-1-7(12(20)21)11(15)10(8)6-3-4-19-9(5-6)17-13(16)18-19/h1-5H,(H2,16,18)(H,20,21).
What are the key properties of 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,4-difluorobenzoic acid?
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,4-difluorobenzoic acid has a molecular weight of 290.23 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,4-difluorobenzoic acid is sourced from PubChem (CID 169003930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).