6-chloropyridine-2,3-dicarboxylic acid

C7H4ClNO4 — CID 11401420

IUPAC6-chloropyridine-2,3-dicarboxylic acid
SMILESO=C(O)c1ccc(Cl)nc1C(=O)O
InChIInChI=1S/C7H4ClNO4/c8-4-2-1-3(6(10)11)5(9-4)7(12)13/h1-2H,(H,10,11)(H,12,13)
InChIKeyUZSYXDLIFFSYNQ-UHFFFAOYSA-N
MW201.56 g/mol
LogP1.13
Rot. Bonds2

About 6-chloropyridine-2,3-dicarboxylic acid

6-chloropyridine-2,3-dicarboxylic acid (PubChem CID 11401420) has the molecular formula C7H4ClNO4 and a molecular weight of 201.56 g/mol. Its IUPAC name is 6-chloropyridine-2,3-dicarboxylic acid.

Molecular Properties

Compound Name6-chloropyridine-2,3-dicarboxylic acid
PubChem CID11401420
Molecular FormulaC7H4ClNO4
Molecular Weight201.56 g/mol
Exact Mass200.98
IUPAC Name6-chloropyridine-2,3-dicarboxylic acid
SMILESO=C(O)c1ccc(Cl)nc1C(=O)O
InChIInChI=1S/C7H4ClNO4/c8-4-2-1-3(6(10)11)5(9-4)7(12)13/h1-2H,(H,10,11)(H,12,13)
InChIKeyUZSYXDLIFFSYNQ-UHFFFAOYSA-N
XLogP1.13
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.56
LogP ≤ 51.13
H-Bond Donors ≤ 52
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 6-chloropyridine-2,3-dicarboxylic acid?
The IUPAC name of 6-chloropyridine-2,3-dicarboxylic acid (CID 11401420) is 6-chloropyridine-2,3-dicarboxylic acid.
What is the SMILES notation for 6-chloropyridine-2,3-dicarboxylic acid?
The canonical SMILES for 6-chloropyridine-2,3-dicarboxylic acid is O=C(O)c1ccc(Cl)nc1C(=O)O.
What is the InChIKey of 6-chloropyridine-2,3-dicarboxylic acid?
The InChIKey is UZSYXDLIFFSYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClNO4/c8-4-2-1-3(6(10)11)5(9-4)7(12)13/h1-2H,(H,10,11)(H,12,13).
What are the key properties of 6-chloropyridine-2,3-dicarboxylic acid?
6-chloropyridine-2,3-dicarboxylic acid has a molecular weight of 201.56 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloropyridine-2,3-dicarboxylic acid is sourced from PubChem (CID 11401420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).