lithium 7-chloro-1-methylpyrazolo[4,3-b]pyridine-6-carboxylate

C8H5ClLiN3O2 — CID 167726804

IUPAClithium 7-chloro-1-methylpyrazolo[4,3-b]pyridine-6-carboxylate
SMILESCn1ncc2ncc(C(=O)[O-])c(Cl)c21.[Li+]
InChIInChI=1S/C8H6ClN3O2.Li/c1-12-7-5(3-11-12)10-2-4(6(7)9)8(13)14;/h2-3H,1H3,(H,13,14);/q;+1/p-1
InChIKeyKWKTYODRQCYMJQ-UHFFFAOYSA-M
MW217.54 g/mol
LogP-3.01
Rot. Bonds1

About lithium 7-chloro-1-methylpyrazolo[4,3-b]pyridine-6-carboxylate

lithium 7-chloro-1-methylpyrazolo[4,3-b]pyridine-6-carboxylate (PubChem CID 167726804) has the molecular formula C8H5ClLiN3O2 and a molecular weight of 217.54 g/mol. Its IUPAC name is lithium 7-chloro-1-methylpyrazolo[4,3-b]pyridine-6-carboxylate.

Molecular Properties

Compound Namelithium 7-chloro-1-methylpyrazolo[4,3-b]pyridine-6-carboxylate
PubChem CID167726804
Molecular FormulaC8H5ClLiN3O2
Molecular Weight217.54 g/mol
Exact Mass217.02
IUPAC Namelithium 7-chloro-1-methylpyrazolo[4,3-b]pyridine-6-carboxylate
SMILESCn1ncc2ncc(C(=O)[O-])c(Cl)c21.[Li+]
InChIInChI=1S/C8H6ClN3O2.Li/c1-12-7-5(3-11-12)10-2-4(6(7)9)8(13)14;/h2-3H,1H3,(H,13,14);/q;+1/p-1
InChIKeyKWKTYODRQCYMJQ-UHFFFAOYSA-M
XLogP-3.01
TPSA70.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.54
LogP ≤ 5-3.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze lithium 7-chloro-1-methylpyrazolo[4,3-b]pyridine-6-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-chloro-1-methylpyrazolo[4,3-b]pyridine-6-carboxylate?
The IUPAC name of lithium 7-chloro-1-methylpyrazolo[4,3-b]pyridine-6-carboxylate (CID 167726804) is lithium 7-chloro-1-methylpyrazolo[4,3-b]pyridine-6-carboxylate.
What is the SMILES notation for lithium 7-chloro-1-methylpyrazolo[4,3-b]pyridine-6-carboxylate?
The canonical SMILES for lithium 7-chloro-1-methylpyrazolo[4,3-b]pyridine-6-carboxylate is Cn1ncc2ncc(C(=O)[O-])c(Cl)c21.[Li+].
What is the InChIKey of lithium 7-chloro-1-methylpyrazolo[4,3-b]pyridine-6-carboxylate?
The InChIKey is KWKTYODRQCYMJQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H6ClN3O2.Li/c1-12-7-5(3-11-12)10-2-4(6(7)9)8(13)14;/h2-3H,1H3,(H,13,14);/q;+1/p-1.
What are the key properties of lithium 7-chloro-1-methylpyrazolo[4,3-b]pyridine-6-carboxylate?
lithium 7-chloro-1-methylpyrazolo[4,3-b]pyridine-6-carboxylate has a molecular weight of 217.54 g/mol, XLogP of -3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 7-chloro-1-methylpyrazolo[4,3-b]pyridine-6-carboxylate is sourced from PubChem (CID 167726804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).