dilithium bis(4,6-dichloropyridazine-3-carboxylate)

C10H2Cl4Li2N4O4 — CID 175822356

IUPACdilithium bis(4,6-dichloropyridazine-3-carboxylate)
SMILESO=C([O-])c1nnc(Cl)cc1Cl.O=C([O-])c1nnc(Cl)cc1Cl.[Li+].[Li+]
InChIInChI=1S/2C5H2Cl2N2O2.2Li/c2*6-2-1-3(7)8-9-4(2)5(10)11;;/h2*1H,(H,10,11);;/q;;2*+1/p-2
InChIKeyZVOOTYMUISNWQQ-UHFFFAOYSA-L
MW397.84 g/mol
LogP-5.70
Rot. Bonds2

About dilithium bis(4,6-dichloropyridazine-3-carboxylate)

dilithium bis(4,6-dichloropyridazine-3-carboxylate) (PubChem CID 175822356) has the molecular formula C10H2Cl4Li2N4O4 and a molecular weight of 397.84 g/mol. Its IUPAC name is dilithium bis(4,6-dichloropyridazine-3-carboxylate).

Molecular Properties

Compound Namedilithium bis(4,6-dichloropyridazine-3-carboxylate)
PubChem CID175822356
Molecular FormulaC10H2Cl4Li2N4O4
Molecular Weight397.84 g/mol
Exact Mass395.92
IUPAC Namedilithium bis(4,6-dichloropyridazine-3-carboxylate)
SMILESO=C([O-])c1nnc(Cl)cc1Cl.O=C([O-])c1nnc(Cl)cc1Cl.[Li+].[Li+]
InChIInChI=1S/2C5H2Cl2N2O2.2Li/c2*6-2-1-3(7)8-9-4(2)5(10)11;;/h2*1H,(H,10,11);;/q;;2*+1/p-2
InChIKeyZVOOTYMUISNWQQ-UHFFFAOYSA-L
XLogP-5.70
TPSA131.82 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.84
LogP ≤ 5-5.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3,3,3-trideuterio-1-(4,6-dichloropyridazin-3-yl)propan-1-one
CID 171456653
1-(6-chloro-4-methylpyridazin-3-yl)ethanone;ethane
CID 177012360
lithium 3-chloro-6-methylpyridine-2-carboxylate
CID 66749896
methyl 6-chloro-4-[(5-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxylate;methyl 4,6-dichloropyridazine-3-carboxylate;5-methylsulfonylpyridin-2-amine
CID 158782125
dilithium;hydron;pyrazine-2,3,5,6-tetracarboxylate;hexahydrate
CID 139086700
potassium 6-chloro-3-methylpyridine-2-carboxylate
CID 86707308
dipotassium;4-amino-3,6-dichloropyridine-2-carboxylate;4-amino-3,5,6-trichloropyridine-2-carboxylate
CID 91827436
3-chloro-1-methylpyrrolo[2,3-b]pyridine-5,6-dicarboxylate
CID 19977718
4-amino-3,6-dichloropyridine-2-carboxylate;2-hydroxypropylazanium
CID 140823752
4-amino-2,6-dichlorophenol;urea
CID 154637850
lithium carbamate
CID 23703745
3,6-dichloro-N-(3,5-dichloro-4-hydroxyphenyl)pyridazine-4-carboxamide
CID 136812221

Frequently Asked Questions

What is the IUPAC name of dilithium bis(4,6-dichloropyridazine-3-carboxylate)?
The IUPAC name of dilithium bis(4,6-dichloropyridazine-3-carboxylate) (CID 175822356) is dilithium bis(4,6-dichloropyridazine-3-carboxylate).
What is the SMILES notation for dilithium bis(4,6-dichloropyridazine-3-carboxylate)?
The canonical SMILES for dilithium bis(4,6-dichloropyridazine-3-carboxylate) is O=C([O-])c1nnc(Cl)cc1Cl.O=C([O-])c1nnc(Cl)cc1Cl.[Li+].[Li+].
What is the InChIKey of dilithium bis(4,6-dichloropyridazine-3-carboxylate)?
The InChIKey is ZVOOTYMUISNWQQ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C5H2Cl2N2O2.2Li/c2*6-2-1-3(7)8-9-4(2)5(10)11;;/h2*1H,(H,10,11);;/q;;2*+1/p-2.
What are the key properties of dilithium bis(4,6-dichloropyridazine-3-carboxylate)?
dilithium bis(4,6-dichloropyridazine-3-carboxylate) has a molecular weight of 397.84 g/mol, XLogP of -5.70, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium bis(4,6-dichloropyridazine-3-carboxylate) is sourced from PubChem (CID 175822356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).