lithium 6-chloro-4-(trifluoromethyl)pyridazine-3-carboxylate

C6HClF3LiN2O2 — CID 134691034

IUPAClithium 6-chloro-4-(trifluoromethyl)pyridazine-3-carboxylate
SMILESO=C([O-])c1nnc(Cl)cc1C(F)(F)F.[Li+]
InChIInChI=1S/C6H2ClF3N2O2.Li/c7-3-1-2(6(8,9)10)4(5(13)14)12-11-3;/h1H,(H,13,14);/q;+1/p-1
InChIKeyVQJQPCSMGOBDPB-UHFFFAOYSA-M
MW232.47 g/mol
LogP-2.48
Rot. Bonds1

About lithium 6-chloro-4-(trifluoromethyl)pyridazine-3-carboxylate

lithium 6-chloro-4-(trifluoromethyl)pyridazine-3-carboxylate (PubChem CID 134691034) has the molecular formula C6HClF3LiN2O2 and a molecular weight of 232.47 g/mol. Its IUPAC name is lithium 6-chloro-4-(trifluoromethyl)pyridazine-3-carboxylate.

Molecular Properties

Compound Namelithium 6-chloro-4-(trifluoromethyl)pyridazine-3-carboxylate
PubChem CID134691034
Molecular FormulaC6HClF3LiN2O2
Molecular Weight232.47 g/mol
Exact Mass231.98
IUPAC Namelithium 6-chloro-4-(trifluoromethyl)pyridazine-3-carboxylate
SMILESO=C([O-])c1nnc(Cl)cc1C(F)(F)F.[Li+]
InChIInChI=1S/C6H2ClF3N2O2.Li/c7-3-1-2(6(8,9)10)4(5(13)14)12-11-3;/h1H,(H,13,14);/q;+1/p-1
InChIKeyVQJQPCSMGOBDPB-UHFFFAOYSA-M
XLogP-2.48
TPSA65.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.47
LogP ≤ 5-2.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of lithium 6-chloro-4-(trifluoromethyl)pyridazine-3-carboxylate?
The IUPAC name of lithium 6-chloro-4-(trifluoromethyl)pyridazine-3-carboxylate (CID 134691034) is lithium 6-chloro-4-(trifluoromethyl)pyridazine-3-carboxylate.
What is the SMILES notation for lithium 6-chloro-4-(trifluoromethyl)pyridazine-3-carboxylate?
The canonical SMILES for lithium 6-chloro-4-(trifluoromethyl)pyridazine-3-carboxylate is O=C([O-])c1nnc(Cl)cc1C(F)(F)F.[Li+].
What is the InChIKey of lithium 6-chloro-4-(trifluoromethyl)pyridazine-3-carboxylate?
The InChIKey is VQJQPCSMGOBDPB-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H2ClF3N2O2.Li/c7-3-1-2(6(8,9)10)4(5(13)14)12-11-3;/h1H,(H,13,14);/q;+1/p-1.
What are the key properties of lithium 6-chloro-4-(trifluoromethyl)pyridazine-3-carboxylate?
lithium 6-chloro-4-(trifluoromethyl)pyridazine-3-carboxylate has a molecular weight of 232.47 g/mol, XLogP of -2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 6-chloro-4-(trifluoromethyl)pyridazine-3-carboxylate is sourced from PubChem (CID 134691034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).