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

C13H8F2N4O2 — CID 82556895

IUPAC2-amino-8-(3,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
SMILESNc1nc2c(-c3ccc(F)c(F)c3)ccc(C(=O)O)n2n1
InChIInChI=1S/C13H8F2N4O2/c14-8-3-1-6(5-9(8)15)7-2-4-10(12(20)21)19-11(7)17-13(16)18-19/h1-5H,(H2,16,18)(H,20,21)
InChIKeyYBLPMPQCDQQIFQ-UHFFFAOYSA-N
MW290.23 g/mol
LogP1.95
Rot. Bonds2

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

2-amino-8-(3,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid (PubChem CID 82556895) has the molecular formula C13H8F2N4O2 and a molecular weight of 290.23 g/mol. Its IUPAC name is 2-amino-8-(3,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-amino-8-(3,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
PubChem CID82556895
Molecular FormulaC13H8F2N4O2
Molecular Weight290.23 g/mol
Exact Mass290.06
IUPAC Name2-amino-8-(3,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
SMILESNc1nc2c(-c3ccc(F)c(F)c3)ccc(C(=O)O)n2n1
InChIInChI=1S/C13H8F2N4O2/c14-8-3-1-6(5-9(8)15)7-2-4-10(12(20)21)19-11(7)17-13(16)18-19/h1-5H,(H2,16,18)(H,20,21)
InChIKeyYBLPMPQCDQQIFQ-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

Analyze 2-amino-8-(3,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-8-(4-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82556883
2-amino-8-(2-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82556889
2-amino-8-(diethylamino)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82555597
2-amino-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82555600
2-amino-4-(3,4-difluorophenyl)-1H-imidazole-5-carboxylic acid
CID 82477054
3-amino-2-(3,4-difluorophenyl)imidazo[1,2-a]pyridine-8-carboxylic acid
CID 82355927
2-amino-6-(3-fluoro-4-hydroxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82556745
6-(3,4-difluorophenyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82556540
2-amino-8-(3,4-dihydro-1H-isoquinolin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82555614
4-[[8-(3,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 59199040
2-amino-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 84719956
2-(3,4-difluorophenyl)-6-fluorobenzoic acid
CID 53225881

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-(3,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The IUPAC name of 2-amino-8-(3,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid (CID 82556895) is 2-amino-8-(3,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-amino-8-(3,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The canonical SMILES for 2-amino-8-(3,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid is Nc1nc2c(-c3ccc(F)c(F)c3)ccc(C(=O)O)n2n1.
What is the InChIKey of 2-amino-8-(3,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
The InChIKey is YBLPMPQCDQQIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N4O2/c14-8-3-1-6(5-9(8)15)7-2-4-10(12(20)21)19-11(7)17-13(16)18-19/h1-5H,(H2,16,18)(H,20,21).
What are the key properties of 2-amino-8-(3,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid?
2-amino-8-(3,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic 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 2-amino-8-(3,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 82556895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).