3,6-dichloropyridine-2-carboxylic acid

C6H3Cl2NO2 — CID 15553

IUPAC3,6-dichloropyridine-2-carboxylic acid
SMILESO=C(O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)
InChIKeyHUBANNPOLNYSAD-UHFFFAOYSA-N
MW192.00 g/mol
LogP2.09
Rot. Bonds1

About 3,6-dichloropyridine-2-carboxylic acid

3,6-dichloropyridine-2-carboxylic acid (PubChem CID 15553) has the molecular formula C6H3Cl2NO2 and a molecular weight of 192.00 g/mol. Its IUPAC name is 3,6-dichloropyridine-2-carboxylic acid.

Molecular Properties

Compound Name3,6-dichloropyridine-2-carboxylic acid
PubChem CID15553
Molecular FormulaC6H3Cl2NO2
Molecular Weight192.00 g/mol
Exact Mass190.95
IUPAC Name3,6-dichloropyridine-2-carboxylic acid
SMILESO=C(O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11)
InChIKeyHUBANNPOLNYSAD-UHFFFAOYSA-N
XLogP2.09
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.00
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3,6-dichloropyridine-2-carboxylic acid?
The IUPAC name of 3,6-dichloropyridine-2-carboxylic acid (CID 15553) is 3,6-dichloropyridine-2-carboxylic acid.
What is the SMILES notation for 3,6-dichloropyridine-2-carboxylic acid?
The canonical SMILES for 3,6-dichloropyridine-2-carboxylic acid is O=C(O)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloropyridine-2-carboxylic acid?
The InChIKey is HUBANNPOLNYSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2NO2/c7-3-1-2-4(8)9-5(3)6(10)11/h1-2H,(H,10,11).
What are the key properties of 3,6-dichloropyridine-2-carboxylic acid?
3,6-dichloropyridine-2-carboxylic acid has a molecular weight of 192.00 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloropyridine-2-carboxylic acid is sourced from PubChem (CID 15553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).