4-amino-6-chloropyridine-2,3-dicarboxylic acid

C7H5ClN2O4 — CID 150705570

IUPAC4-amino-6-chloropyridine-2,3-dicarboxylic acid
SMILESNc1cc(Cl)nc(C(=O)O)c1C(=O)O
InChIInChI=1S/C7H5ClN2O4/c8-3-1-2(9)4(6(11)12)5(10-3)7(13)14/h1H,(H2,9,10)(H,11,12)(H,13,14)
InChIKeyJMUDVMIRSOOJMQ-UHFFFAOYSA-N
MW216.58 g/mol
LogP0.71
Rot. Bonds2

About 4-amino-6-chloropyridine-2,3-dicarboxylic acid

4-amino-6-chloropyridine-2,3-dicarboxylic acid (PubChem CID 150705570) has the molecular formula C7H5ClN2O4 and a molecular weight of 216.58 g/mol. Its IUPAC name is 4-amino-6-chloropyridine-2,3-dicarboxylic acid.

Molecular Properties

Compound Name4-amino-6-chloropyridine-2,3-dicarboxylic acid
PubChem CID150705570
Molecular FormulaC7H5ClN2O4
Molecular Weight216.58 g/mol
Exact Mass215.99
IUPAC Name4-amino-6-chloropyridine-2,3-dicarboxylic acid
SMILESNc1cc(Cl)nc(C(=O)O)c1C(=O)O
InChIInChI=1S/C7H5ClN2O4/c8-3-1-2(9)4(6(11)12)5(10-3)7(13)14/h1H,(H2,9,10)(H,11,12)(H,13,14)
InChIKeyJMUDVMIRSOOJMQ-UHFFFAOYSA-N
XLogP0.71
TPSA113.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.58
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 4-amino-6-chloropyridine-2,3-dicarboxylic acid?
The IUPAC name of 4-amino-6-chloropyridine-2,3-dicarboxylic acid (CID 150705570) is 4-amino-6-chloropyridine-2,3-dicarboxylic acid.
What is the SMILES notation for 4-amino-6-chloropyridine-2,3-dicarboxylic acid?
The canonical SMILES for 4-amino-6-chloropyridine-2,3-dicarboxylic acid is Nc1cc(Cl)nc(C(=O)O)c1C(=O)O.
What is the InChIKey of 4-amino-6-chloropyridine-2,3-dicarboxylic acid?
The InChIKey is JMUDVMIRSOOJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O4/c8-3-1-2(9)4(6(11)12)5(10-3)7(13)14/h1H,(H2,9,10)(H,11,12)(H,13,14).
What are the key properties of 4-amino-6-chloropyridine-2,3-dicarboxylic acid?
4-amino-6-chloropyridine-2,3-dicarboxylic acid has a molecular weight of 216.58 g/mol, XLogP of 0.71, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-chloropyridine-2,3-dicarboxylic acid is sourced from PubChem (CID 150705570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).