potassium 3,6-dichloropyridine-2-carboxylate

C6H2Cl2KNO2 — CID 23674252

IUPACpotassium 3,6-dichloropyridine-2-carboxylate
SMILESO=C([O-])c1nc(Cl)ccc1Cl.[K+]
InChIInChI=1S/C6H3Cl2NO2.K/c7-3-1-2-4(8)9-5(3)6(10)11;/h1-2H,(H,10,11);/q;+1/p-1
InChIKeyRLQCYSVYYHHLIL-UHFFFAOYSA-M
MW230.09 g/mol
LogP-2.24
Rot. Bonds1

About potassium 3,6-dichloropyridine-2-carboxylate

potassium 3,6-dichloropyridine-2-carboxylate (PubChem CID 23674252) has the molecular formula C6H2Cl2KNO2 and a molecular weight of 230.09 g/mol. Its IUPAC name is potassium 3,6-dichloropyridine-2-carboxylate.

Molecular Properties

Compound Namepotassium 3,6-dichloropyridine-2-carboxylate
PubChem CID23674252
Molecular FormulaC6H2Cl2KNO2
Molecular Weight230.09 g/mol
Exact Mass228.91
IUPAC Namepotassium 3,6-dichloropyridine-2-carboxylate
SMILESO=C([O-])c1nc(Cl)ccc1Cl.[K+]
InChIInChI=1S/C6H3Cl2NO2.K/c7-3-1-2-4(8)9-5(3)6(10)11;/h1-2H,(H,10,11);/q;+1/p-1
InChIKeyRLQCYSVYYHHLIL-UHFFFAOYSA-M
XLogP-2.24
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.09
LogP ≤ 5-2.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium 3,6-dichloropyridine-2-carboxylate?
The IUPAC name of potassium 3,6-dichloropyridine-2-carboxylate (CID 23674252) is potassium 3,6-dichloropyridine-2-carboxylate.
What is the SMILES notation for potassium 3,6-dichloropyridine-2-carboxylate?
The canonical SMILES for potassium 3,6-dichloropyridine-2-carboxylate is O=C([O-])c1nc(Cl)ccc1Cl.[K+].
What is the InChIKey of potassium 3,6-dichloropyridine-2-carboxylate?
The InChIKey is RLQCYSVYYHHLIL-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H3Cl2NO2.K/c7-3-1-2-4(8)9-5(3)6(10)11;/h1-2H,(H,10,11);/q;+1/p-1.
What are the key properties of potassium 3,6-dichloropyridine-2-carboxylate?
potassium 3,6-dichloropyridine-2-carboxylate has a molecular weight of 230.09 g/mol, XLogP of -2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 3,6-dichloropyridine-2-carboxylate is sourced from PubChem (CID 23674252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).