lithium 4,6-dichloropyridazine-3-carboxylate

C5HCl2LiN2O2 — CID 154640671

IUPAClithium 4,6-dichloropyridazine-3-carboxylate
SMILESO=C([O-])c1nnc(Cl)cc1Cl.[Li+]
InChIInChI=1S/C5H2Cl2N2O2.Li/c6-2-1-3(7)8-9-4(2)5(10)11;/h1H,(H,10,11);/q;+1/p-1
InChIKeyDAHURLFXBYFSFD-UHFFFAOYSA-M
MW198.92 g/mol
LogP-2.85
Rot. Bonds1

About lithium 4,6-dichloropyridazine-3-carboxylate

lithium 4,6-dichloropyridazine-3-carboxylate (PubChem CID 154640671) has the molecular formula C5HCl2LiN2O2 and a molecular weight of 198.92 g/mol. Its IUPAC name is lithium 4,6-dichloropyridazine-3-carboxylate.

Molecular Properties

Compound Namelithium 4,6-dichloropyridazine-3-carboxylate
PubChem CID154640671
Molecular FormulaC5HCl2LiN2O2
Molecular Weight198.92 g/mol
Exact Mass197.96
IUPAC Namelithium 4,6-dichloropyridazine-3-carboxylate
SMILESO=C([O-])c1nnc(Cl)cc1Cl.[Li+]
InChIInChI=1S/C5H2Cl2N2O2.Li/c6-2-1-3(7)8-9-4(2)5(10)11;/h1H,(H,10,11);/q;+1/p-1
InChIKeyDAHURLFXBYFSFD-UHFFFAOYSA-M
XLogP-2.85
TPSA65.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.92
LogP ≤ 5-2.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 6-chloropyridazine-3-carboxylate
CID 10352425
6-chloropyridazine-3-carboxylic Acid
CID 6415762
Methyl 6-chloropyridazine-3-carboxylate
CID 12379801
Ethyl 4,6-dichloropyridazine-3-carboxylate
CID 53428795
Methyl 4,6-dichloropyridazine-3-carboxylate
CID 17848322
5-Chloropyridazine-3-carboxylic acid
CID 19792063
6-Chloro-5-methylpyridazine-3-carboxylic acid
CID 83635815
Methyl 6-chloro-4-methylpyridazine-3-carboxylate
CID 135392320
4,6-Dichloro-pyridazine-3-carboxylic acid lithium salt monohydrate
CID 154791965
Lithium(1+) 6-chloro-4-(trifluoromethyl)pyridazine-3-carboxylate
CID 134691034
4,6-Dichloropyridazine-3-carboxylic acid
CID 21919280
Iodo 6-fluoropyridazine-3-carboxylate
CID 147650943

Frequently Asked Questions

What is the IUPAC name of lithium 4,6-dichloropyridazine-3-carboxylate?
The IUPAC name of lithium 4,6-dichloropyridazine-3-carboxylate (CID 154640671) is lithium 4,6-dichloropyridazine-3-carboxylate.
What is the SMILES notation for lithium 4,6-dichloropyridazine-3-carboxylate?
The canonical SMILES for lithium 4,6-dichloropyridazine-3-carboxylate is O=C([O-])c1nnc(Cl)cc1Cl.[Li+].
What is the InChIKey of lithium 4,6-dichloropyridazine-3-carboxylate?
The InChIKey is DAHURLFXBYFSFD-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H2Cl2N2O2.Li/c6-2-1-3(7)8-9-4(2)5(10)11;/h1H,(H,10,11);/q;+1/p-1.
What are the key properties of lithium 4,6-dichloropyridazine-3-carboxylate?
lithium 4,6-dichloropyridazine-3-carboxylate has a molecular weight of 198.92 g/mol, XLogP of -2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 4,6-dichloropyridazine-3-carboxylate is sourced from PubChem (CID 154640671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).