lithium;pyridine-4-carboxylate;dihydrate

C6H8LiNO4 — CID 172830071

IUPAClithium;pyridine-4-carboxylate;dihydrate
SMILESO.O.O=C([O-])c1ccncc1.[Li+]
InChIInChI=1S/C6H5NO2.Li.2H2O/c8-6(9)5-1-3-7-4-2-5;;;/h1-4H,(H,8,9);;2*1H2/q;+1;;/p-1
InChIKeyVJXHUWKTOJRTBB-UHFFFAOYSA-M
MW165.07 g/mol
LogP-5.20
Rot. Bonds1

About lithium;pyridine-4-carboxylate;dihydrate

lithium;pyridine-4-carboxylate;dihydrate (PubChem CID 172830071) has the molecular formula C6H8LiNO4 and a molecular weight of 165.07 g/mol. Its IUPAC name is lithium;pyridine-4-carboxylate;dihydrate.

Molecular Properties

Compound Namelithium;pyridine-4-carboxylate;dihydrate
PubChem CID172830071
Molecular FormulaC6H8LiNO4
Molecular Weight165.07 g/mol
Exact Mass165.06
IUPAC Namelithium;pyridine-4-carboxylate;dihydrate
SMILESO.O.O=C([O-])c1ccncc1.[Li+]
InChIInChI=1S/C6H5NO2.Li.2H2O/c8-6(9)5-1-3-7-4-2-5;;;/h1-4H,(H,8,9);;2*1H2/q;+1;;/p-1
InChIKeyVJXHUWKTOJRTBB-UHFFFAOYSA-M
XLogP-5.20
TPSA116.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.07
LogP ≤ 5-5.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

dilithium;terephthalate
CID 14361651
copper;bis(4-methylbenzoate);bis(pyridine-4-carboxamide);dihydrate
CID 139079434
4-[(pyridin-4-ylmethylazaniumyl)methyl]benzoate
CID 40730481
disodium;benzoate
CID 159580825
dipotassium;terephthalate
CID 25981
terephthalate;vanadium(4+)
CID 157213578
hexakis(oxygen(2-));hexakis(propan-2-olate);hexakis(pyridine-4-carboxylate);hexakis(titanium(4+));toluene
CID 139114225
dizinc;bis(4-[(E)-2-phenylethenyl]pyridine);tetrabenzoate
CID 139048284
benzoate tetrahydrate
CID 18510013
hydrazine;pyridine-4-carboxamide;hydrate
CID 170336563
azanium;sodium;terephthalate
CID 18352242
copper;bis(4-fluorobenzoate);4-fluorobenzoic acid;bis(pyridine-4-carboxamide)
CID 139081538

Frequently Asked Questions

What is the IUPAC name of lithium;pyridine-4-carboxylate;dihydrate?
The IUPAC name of lithium;pyridine-4-carboxylate;dihydrate (CID 172830071) is lithium;pyridine-4-carboxylate;dihydrate.
What is the SMILES notation for lithium;pyridine-4-carboxylate;dihydrate?
The canonical SMILES for lithium;pyridine-4-carboxylate;dihydrate is O.O.O=C([O-])c1ccncc1.[Li+].
What is the InChIKey of lithium;pyridine-4-carboxylate;dihydrate?
The InChIKey is VJXHUWKTOJRTBB-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5NO2.Li.2H2O/c8-6(9)5-1-3-7-4-2-5;;;/h1-4H,(H,8,9);;2*1H2/q;+1;;/p-1.
What are the key properties of lithium;pyridine-4-carboxylate;dihydrate?
lithium;pyridine-4-carboxylate;dihydrate has a molecular weight of 165.07 g/mol, XLogP of -5.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;pyridine-4-carboxylate;dihydrate is sourced from PubChem (CID 172830071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).