lithium;2-amino-6-chloropyridine-3-carboxylate;2,6-dichloropyridine-3-carboxylic acid

C12H7Cl3LiN3O4 — CID 158642535

IUPAClithium;2-amino-6-chloropyridine-3-carboxylate;2,6-dichloropyridine-3-carboxylic acid
SMILESNc1nc(Cl)ccc1C(=O)[O-].O=C(O)c1ccc(Cl)nc1Cl.[Li+]
InChIInChI=1S/C6H3Cl2NO2.C6H5ClN2O2.Li/c2*7-4-2-1-3(6(10)11)5(8)9-4;/h1-2H,(H,10,11);1-2H,(H2,8,9)(H,10,11);/q;;+1/p-1
InChIKeyIAOKENUUHGFVDT-UHFFFAOYSA-M
MW370.51 g/mol
LogP-1.23
Rot. Bonds2

About lithium;2-amino-6-chloropyridine-3-carboxylate;2,6-dichloropyridine-3-carboxylic acid

lithium;2-amino-6-chloropyridine-3-carboxylate;2,6-dichloropyridine-3-carboxylic acid (PubChem CID 158642535) has the molecular formula C12H7Cl3LiN3O4 and a molecular weight of 370.51 g/mol. Its IUPAC name is lithium;2-amino-6-chloropyridine-3-carboxylate;2,6-dichloropyridine-3-carboxylic acid.

Molecular Properties

Compound Namelithium;2-amino-6-chloropyridine-3-carboxylate;2,6-dichloropyridine-3-carboxylic acid
PubChem CID158642535
Molecular FormulaC12H7Cl3LiN3O4
Molecular Weight370.51 g/mol
Exact Mass368.97
IUPAC Namelithium;2-amino-6-chloropyridine-3-carboxylate;2,6-dichloropyridine-3-carboxylic acid
SMILESNc1nc(Cl)ccc1C(=O)[O-].O=C(O)c1ccc(Cl)nc1Cl.[Li+]
InChIInChI=1S/C6H3Cl2NO2.C6H5ClN2O2.Li/c2*7-4-2-1-3(6(10)11)5(8)9-4;/h1-2H,(H,10,11);1-2H,(H2,8,9)(H,10,11);/q;;+1/p-1
InChIKeyIAOKENUUHGFVDT-UHFFFAOYSA-M
XLogP-1.23
TPSA129.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.51
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

lithium;2-amino-6-chloropyridine-3-carboxylic acid;hydride
CID 173014612
2,6-dichloropyridine-3-carbonyl chloride;2,6-dichloropyridine-3-carboxylic acid
CID 159765877
2-amino-6-chloropyridine-3-carboxamide
CID 22607643
2,6-dichloropyridine-3-carboxamide
CID 22142778
2,6-dichloropyridine-3-carboxylic acid;methanol;methyl 2,6-dichloropyridine-3-carboxylate;thionyl dichloride
CID 160688550
CID 142991436
CID 142991436
2-(2,6-dichloropyridine-3-carbonyl)-5-nitrobenzoic acid
CID 14091944
2-chloro-5-[(2,6-dichloropyridine-3-carbonyl)amino]benzoic acid
CID 106993313
1-(2,6-dichloro-3-pyridinyl)-2,2,2-trifluoroethanone
CID 71301905
6-chloro-2-ethylsulfanylpyridine-3-carboxylic acid
CID 63380230
2-amino-6-chloro-5-fluoropyridine-3-carboxylic acid
CID 165124028
N-(benzenesulfonyl)-2,6-dichloropyridine-3-carboxamide
CID 134393571

Frequently Asked Questions

What is the IUPAC name of lithium;2-amino-6-chloropyridine-3-carboxylate;2,6-dichloropyridine-3-carboxylic acid?
The IUPAC name of lithium;2-amino-6-chloropyridine-3-carboxylate;2,6-dichloropyridine-3-carboxylic acid (CID 158642535) is lithium;2-amino-6-chloropyridine-3-carboxylate;2,6-dichloropyridine-3-carboxylic acid.
What is the SMILES notation for lithium;2-amino-6-chloropyridine-3-carboxylate;2,6-dichloropyridine-3-carboxylic acid?
The canonical SMILES for lithium;2-amino-6-chloropyridine-3-carboxylate;2,6-dichloropyridine-3-carboxylic acid is Nc1nc(Cl)ccc1C(=O)[O-].O=C(O)c1ccc(Cl)nc1Cl.[Li+].
What is the InChIKey of lithium;2-amino-6-chloropyridine-3-carboxylate;2,6-dichloropyridine-3-carboxylic acid?
The InChIKey is IAOKENUUHGFVDT-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H3Cl2NO2.C6H5ClN2O2.Li/c2*7-4-2-1-3(6(10)11)5(8)9-4;/h1-2H,(H,10,11);1-2H,(H2,8,9)(H,10,11);/q;;+1/p-1.
What are the key properties of lithium;2-amino-6-chloropyridine-3-carboxylate;2,6-dichloropyridine-3-carboxylic acid?
lithium;2-amino-6-chloropyridine-3-carboxylate;2,6-dichloropyridine-3-carboxylic acid has a molecular weight of 370.51 g/mol, XLogP of -1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;2-amino-6-chloropyridine-3-carboxylate;2,6-dichloropyridine-3-carboxylic acid is sourced from PubChem (CID 158642535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).