lithium;2-amino-6-chloropyridine-3-carboxylic acid;hydride

C6H6ClLiN2O2 — CID 173014612

IUPAClithium;2-amino-6-chloropyridine-3-carboxylic acid;hydride
SMILESNc1nc(Cl)ccc1C(=O)O.[H-].[Li+]
InChIInChI=1S/C6H5ClN2O2.Li.H/c7-4-2-1-3(6(10)11)5(8)9-4;;/h1-2H,(H2,8,9)(H,10,11);;/q;+1;-1
InChIKeyKDJPZMBEDJHMLB-UHFFFAOYSA-N
MW180.52 g/mol
LogP-1.87
Rot. Bonds1

About lithium;2-amino-6-chloropyridine-3-carboxylic acid;hydride

lithium;2-amino-6-chloropyridine-3-carboxylic acid;hydride (PubChem CID 173014612) has the molecular formula C6H6ClLiN2O2 and a molecular weight of 180.52 g/mol. Its IUPAC name is lithium;2-amino-6-chloropyridine-3-carboxylic acid;hydride.

Molecular Properties

Compound Namelithium;2-amino-6-chloropyridine-3-carboxylic acid;hydride
PubChem CID173014612
Molecular FormulaC6H6ClLiN2O2
Molecular Weight180.52 g/mol
Exact Mass180.03
IUPAC Namelithium;2-amino-6-chloropyridine-3-carboxylic acid;hydride
SMILESNc1nc(Cl)ccc1C(=O)O.[H-].[Li+]
InChIInChI=1S/C6H5ClN2O2.Li.H/c7-4-2-1-3(6(10)11)5(8)9-4;;/h1-2H,(H2,8,9)(H,10,11);;/q;+1;-1
InChIKeyKDJPZMBEDJHMLB-UHFFFAOYSA-N
XLogP-1.87
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.52
LogP ≤ 5-1.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze lithium;2-amino-6-chloropyridine-3-carboxylic acid;hydride 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

lithium;2-amino-6-chloropyridine-3-carboxylate;2,6-dichloropyridine-3-carboxylic acid
CID 158642535
2-amino-6-chloropyridine-3-carboxamide
CID 22607643
CID 142991436
CID 142991436
2,6-dichloropyridine-3-carbonyl chloride;2,6-dichloropyridine-3-carboxylic acid
CID 159765877
6-chloro-2-ethylsulfanylpyridine-3-carboxylic acid
CID 63380230
4-amino-2-chloropyrimidine-5-carboxylic acid
CID 46863895
6-chloro-2-phenylsulfanylpyridine-3-carboxylic acid
CID 63379834
2-amino-6-fluoropyridine-3-carboxylic acid;2,6-difluoropyridine-3-carboxylic acid;methane
CID 159262243
6-chloro-2-(3,5-dichlorophenyl)pyridine-3-carboxylic acid
CID 133088099
2,6-dichloropyridine-3-carboxamide
CID 22142778
(2-amino-6-chloro-3-pyridinyl)boronic acid
CID 91882910
6-chloro-2-(propan-2-ylamino)pyridine-3-carboxylic acid
CID 63376973

Frequently Asked Questions

What is the IUPAC name of lithium;2-amino-6-chloropyridine-3-carboxylic acid;hydride?
The IUPAC name of lithium;2-amino-6-chloropyridine-3-carboxylic acid;hydride (CID 173014612) is lithium;2-amino-6-chloropyridine-3-carboxylic acid;hydride.
What is the SMILES notation for lithium;2-amino-6-chloropyridine-3-carboxylic acid;hydride?
The canonical SMILES for lithium;2-amino-6-chloropyridine-3-carboxylic acid;hydride is Nc1nc(Cl)ccc1C(=O)O.[H-].[Li+].
What is the InChIKey of lithium;2-amino-6-chloropyridine-3-carboxylic acid;hydride?
The InChIKey is KDJPZMBEDJHMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2O2.Li.H/c7-4-2-1-3(6(10)11)5(8)9-4;;/h1-2H,(H2,8,9)(H,10,11);;/q;+1;-1.
What are the key properties of lithium;2-amino-6-chloropyridine-3-carboxylic acid;hydride?
lithium;2-amino-6-chloropyridine-3-carboxylic acid;hydride has a molecular weight of 180.52 g/mol, XLogP of -1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-amino-6-chloropyridine-3-carboxylic acid;hydride is sourced from PubChem (CID 173014612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).