lithium 1,10-phenanthroline-2-carboxylate

C13H7LiN2O2 — CID 158215060

IUPAClithium 1,10-phenanthroline-2-carboxylate
SMILESO=C([O-])c1ccc2ccc3cccnc3c2n1.[Li+]
InChIInChI=1S/C13H8N2O2.Li/c16-13(17)10-6-5-9-4-3-8-2-1-7-14-11(8)12(9)15-10;/h1-7H,(H,16,17);/q;+1/p-1
InChIKeyGCNXIWJZQHBTBO-UHFFFAOYSA-M
MW230.15 g/mol
LogP-1.85
Rot. Bonds1

About lithium 1,10-phenanthroline-2-carboxylate

lithium 1,10-phenanthroline-2-carboxylate (PubChem CID 158215060) has the molecular formula C13H7LiN2O2 and a molecular weight of 230.15 g/mol. Its IUPAC name is lithium 1,10-phenanthroline-2-carboxylate.

Molecular Properties

Compound Namelithium 1,10-phenanthroline-2-carboxylate
PubChem CID158215060
Molecular FormulaC13H7LiN2O2
Molecular Weight230.15 g/mol
Exact Mass230.07
IUPAC Namelithium 1,10-phenanthroline-2-carboxylate
SMILESO=C([O-])c1ccc2ccc3cccnc3c2n1.[Li+]
InChIInChI=1S/C13H8N2O2.Li/c16-13(17)10-6-5-9-4-3-8-2-1-7-14-11(8)12(9)15-10;/h1-7H,(H,16,17);/q;+1/p-1
InChIKeyGCNXIWJZQHBTBO-UHFFFAOYSA-M
XLogP-1.85
TPSA65.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.15
LogP ≤ 5-1.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1,10-phenanthroline-2-carboxylate;terbium(3+)
CID 161309891
bis(1,10-phenanthroline-2-carboxylate);ruthenium(2+)
CID 175903843
tetracopper;tetrakis(6-carboxypyridine-2-carboxylate);bis(1,10-phenanthroline);bis(pyridine-2,6-dicarboxylate);undecahydrate
CID 139197745
1,10-phenanthroline;samarium
CID 174616745
osmium;tris(1,10-phenanthroline)
CID 14251798
sodium 8-hydroxyquinoline-2-carboxylate
CID 23712843
ethane;ethene;1,10-phenanthroline-2-carboxylic acid
CID 145372120
1-(1,10-phenanthrolin-2-yl)propan-1-one
CID 71741494
nickel(2+);tris(1,10-phenanthroline);bis(2,4,5-tricarboxybenzoate);hydrate
CID 139082419
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755

Frequently Asked Questions

What is the IUPAC name of lithium 1,10-phenanthroline-2-carboxylate?
The IUPAC name of lithium 1,10-phenanthroline-2-carboxylate (CID 158215060) is lithium 1,10-phenanthroline-2-carboxylate.
What is the SMILES notation for lithium 1,10-phenanthroline-2-carboxylate?
The canonical SMILES for lithium 1,10-phenanthroline-2-carboxylate is O=C([O-])c1ccc2ccc3cccnc3c2n1.[Li+].
What is the InChIKey of lithium 1,10-phenanthroline-2-carboxylate?
The InChIKey is GCNXIWJZQHBTBO-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H8N2O2.Li/c16-13(17)10-6-5-9-4-3-8-2-1-7-14-11(8)12(9)15-10;/h1-7H,(H,16,17);/q;+1/p-1.
What are the key properties of lithium 1,10-phenanthroline-2-carboxylate?
lithium 1,10-phenanthroline-2-carboxylate has a molecular weight of 230.15 g/mol, XLogP of -1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1,10-phenanthroline-2-carboxylate is sourced from PubChem (CID 158215060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).