2-amino-6-(3-fluoro-4-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid

C13H9FN4O3 — CID 82556745

IUPAC2-amino-6-(3-fluoro-4-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
SMILESNc1nc2c(C(=O)O)cc(-c3ccc(O)c(F)c3)cn2n1
InChIInChI=1S/C13H9FN4O3/c14-9-4-6(1-2-10(9)19)7-3-8(12(20)21)11-16-13(15)17-18(11)5-7/h1-5,19H,(H2,15,17)(H,20,21)
InChIKeyNAZSZYMGORLFMS-UHFFFAOYSA-N
MW288.24 g/mol
LogP1.52
Rot. Bonds2

About 2-amino-6-(3-fluoro-4-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid

2-amino-6-(3-fluoro-4-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid (PubChem CID 82556745) has the molecular formula C13H9FN4O3 and a molecular weight of 288.24 g/mol. Its IUPAC name is 2-amino-6-(3-fluoro-4-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name2-amino-6-(3-fluoro-4-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
PubChem CID82556745
Molecular FormulaC13H9FN4O3
Molecular Weight288.24 g/mol
Exact Mass288.07
IUPAC Name2-amino-6-(3-fluoro-4-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
SMILESNc1nc2c(C(=O)O)cc(-c3ccc(O)c(F)c3)cn2n1
InChIInChI=1S/C13H9FN4O3/c14-9-4-6(1-2-10(9)19)7-3-8(12(20)21)11-16-13(15)17-18(11)5-7/h1-5,19H,(H2,15,17)(H,20,21)
InChIKeyNAZSZYMGORLFMS-UHFFFAOYSA-N
XLogP1.52
TPSA113.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.24
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3-fluoro-4-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The IUPAC name of 2-amino-6-(3-fluoro-4-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid (CID 82556745) is 2-amino-6-(3-fluoro-4-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 2-amino-6-(3-fluoro-4-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The canonical SMILES for 2-amino-6-(3-fluoro-4-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid is Nc1nc2c(C(=O)O)cc(-c3ccc(O)c(F)c3)cn2n1.
What is the InChIKey of 2-amino-6-(3-fluoro-4-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
The InChIKey is NAZSZYMGORLFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4O3/c14-9-4-6(1-2-10(9)19)7-3-8(12(20)21)11-16-13(15)17-18(11)5-7/h1-5,19H,(H2,15,17)(H,20,21).
What are the key properties of 2-amino-6-(3-fluoro-4-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid?
2-amino-6-(3-fluoro-4-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid has a molecular weight of 288.24 g/mol, XLogP of 1.52, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3-fluoro-4-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 82556745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).