5,6-dichloropyridine-2-carboxylate

C6H2Cl2NO2- — CID 86306959

IUPAC5,6-dichloropyridine-2-carboxylate
SMILESO=C([O-])c1ccc(Cl)c(Cl)n1
InChIInChI=1S/C6H3Cl2NO2/c7-3-1-2-4(6(10)11)9-5(3)8/h1-2H,(H,10,11)/p-1
InChIKeyQOJNAEPFSUYAFL-UHFFFAOYSA-M
MW190.99 g/mol
LogP0.75
Rot. Bonds1

About 5,6-dichloropyridine-2-carboxylate

5,6-dichloropyridine-2-carboxylate (PubChem CID 86306959) has the molecular formula C6H2Cl2NO2- and a molecular weight of 190.99 g/mol. Its IUPAC name is 5,6-dichloropyridine-2-carboxylate.

Molecular Properties

Compound Name5,6-dichloropyridine-2-carboxylate
PubChem CID86306959
Molecular FormulaC6H2Cl2NO2-
Molecular Weight190.99 g/mol
Exact Mass189.95
IUPAC Name5,6-dichloropyridine-2-carboxylate
SMILESO=C([O-])c1ccc(Cl)c(Cl)n1
InChIInChI=1S/C6H3Cl2NO2/c7-3-1-2-4(6(10)11)9-5(3)8/h1-2H,(H,10,11)/p-1
InChIKeyQOJNAEPFSUYAFL-UHFFFAOYSA-M
XLogP0.75
TPSA53.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.99
LogP ≤ 50.75
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 5,6-dichloropyridine-2-carboxylate?
The IUPAC name of 5,6-dichloropyridine-2-carboxylate (CID 86306959) is 5,6-dichloropyridine-2-carboxylate.
What is the SMILES notation for 5,6-dichloropyridine-2-carboxylate?
The canonical SMILES for 5,6-dichloropyridine-2-carboxylate is O=C([O-])c1ccc(Cl)c(Cl)n1.
What is the InChIKey of 5,6-dichloropyridine-2-carboxylate?
The InChIKey is QOJNAEPFSUYAFL-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H3Cl2NO2/c7-3-1-2-4(6(10)11)9-5(3)8/h1-2H,(H,10,11)/p-1.
What are the key properties of 5,6-dichloropyridine-2-carboxylate?
5,6-dichloropyridine-2-carboxylate has a molecular weight of 190.99 g/mol, XLogP of 0.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloropyridine-2-carboxylate is sourced from PubChem (CID 86306959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).