lithium 7-bromo-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate

C7H3BrLiN3O2 — CID 170633995

IUPAClithium 7-bromo-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate
SMILESO=C([O-])c1nnc2cc(Br)ccn12.[Li+]
InChIInChI=1S/C7H4BrN3O2.Li/c8-4-1-2-11-5(3-4)9-10-6(11)7(12)13;/h1-3H,(H,12,13);/q;+1/p-1
InChIKeyYYEILYMOJICGGA-UHFFFAOYSA-M
MW247.97 g/mol
LogP-3.14
Rot. Bonds1

About lithium 7-bromo-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate

lithium 7-bromo-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate (PubChem CID 170633995) has the molecular formula C7H3BrLiN3O2 and a molecular weight of 247.97 g/mol. Its IUPAC name is lithium 7-bromo-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namelithium 7-bromo-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate
PubChem CID170633995
Molecular FormulaC7H3BrLiN3O2
Molecular Weight247.97 g/mol
Exact Mass246.96
IUPAC Namelithium 7-bromo-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate
SMILESO=C([O-])c1nnc2cc(Br)ccn12.[Li+]
InChIInChI=1S/C7H4BrN3O2.Li/c8-4-1-2-11-5(3-4)9-10-6(11)7(12)13;/h1-3H,(H,12,13);/q;+1/p-1
InChIKeyYYEILYMOJICGGA-UHFFFAOYSA-M
XLogP-3.14
TPSA70.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.97
LogP ≤ 5-3.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze lithium 7-bromo-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate 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 lithium 7-bromo-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate?
The IUPAC name of lithium 7-bromo-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate (CID 170633995) is lithium 7-bromo-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate.
What is the SMILES notation for lithium 7-bromo-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate?
The canonical SMILES for lithium 7-bromo-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate is O=C([O-])c1nnc2cc(Br)ccn12.[Li+].
What is the InChIKey of lithium 7-bromo-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate?
The InChIKey is YYEILYMOJICGGA-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H4BrN3O2.Li/c8-4-1-2-11-5(3-4)9-10-6(11)7(12)13;/h1-3H,(H,12,13);/q;+1/p-1.
What are the key properties of lithium 7-bromo-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate?
lithium 7-bromo-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate has a molecular weight of 247.97 g/mol, XLogP of -3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 7-bromo-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate is sourced from PubChem (CID 170633995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).