2-amino-2-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetic acid

C8H7BrN4O2 — CID 83844924

IUPAC2-amino-2-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetic acid
SMILESNC(C(=O)O)c1nc2cccc(Br)n2n1
InChIInChI=1S/C8H7BrN4O2/c9-4-2-1-3-5-11-7(12-13(4)5)6(10)8(14)15/h1-3,6H,10H2,(H,14,15)
InChIKeySNDKCNGAWKETRH-UHFFFAOYSA-N
MW271.07 g/mol
LogP0.58
Rot. Bonds2

About 2-amino-2-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetic acid

2-amino-2-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetic acid (PubChem CID 83844924) has the molecular formula C8H7BrN4O2 and a molecular weight of 271.07 g/mol. Its IUPAC name is 2-amino-2-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetic acid
PubChem CID83844924
Molecular FormulaC8H7BrN4O2
Molecular Weight271.07 g/mol
Exact Mass269.98
IUPAC Name2-amino-2-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetic acid
SMILESNC(C(=O)O)c1nc2cccc(Br)n2n1
InChIInChI=1S/C8H7BrN4O2/c9-4-2-1-3-5-11-7(12-13(4)5)6(10)8(14)15/h1-3,6H,10H2,(H,14,15)
InChIKeySNDKCNGAWKETRH-UHFFFAOYSA-N
XLogP0.58
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.07
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-amino-2-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetic acid?
The IUPAC name of 2-amino-2-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetic acid (CID 83844924) is 2-amino-2-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetic acid?
The canonical SMILES for 2-amino-2-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetic acid is NC(C(=O)O)c1nc2cccc(Br)n2n1.
What is the InChIKey of 2-amino-2-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetic acid?
The InChIKey is SNDKCNGAWKETRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN4O2/c9-4-2-1-3-5-11-7(12-13(4)5)6(10)8(14)15/h1-3,6H,10H2,(H,14,15).
What are the key properties of 2-amino-2-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetic acid?
2-amino-2-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetic acid has a molecular weight of 271.07 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetic acid is sourced from PubChem (CID 83844924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).