2,5-dichloropyridine;2,5-dichloropyridine-4-carboxylic acid

C11H6Cl4N2O2 — CID 159095928

IUPAC2,5-dichloropyridine;2,5-dichloropyridine-4-carboxylic acid
SMILESClc1ccc(Cl)nc1.O=C(O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C6H3Cl2NO2.C5H3Cl2N/c7-4-2-9-5(8)1-3(4)6(10)11;6-4-1-2-5(7)8-3-4/h1-2H,(H,10,11);1-3H
InChIKeyKCQYRFWFAGFASM-UHFFFAOYSA-N
MW339.99 g/mol
LogP4.47
Rot. Bonds1

About 2,5-dichloropyridine;2,5-dichloropyridine-4-carboxylic acid

2,5-dichloropyridine;2,5-dichloropyridine-4-carboxylic acid (PubChem CID 159095928) has the molecular formula C11H6Cl4N2O2 and a molecular weight of 339.99 g/mol. Its IUPAC name is 2,5-dichloropyridine;2,5-dichloropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2,5-dichloropyridine;2,5-dichloropyridine-4-carboxylic acid
PubChem CID159095928
Molecular FormulaC11H6Cl4N2O2
Molecular Weight339.99 g/mol
Exact Mass337.92
IUPAC Name2,5-dichloropyridine;2,5-dichloropyridine-4-carboxylic acid
SMILESClc1ccc(Cl)nc1.O=C(O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C6H3Cl2NO2.C5H3Cl2N/c7-4-2-9-5(8)1-3(4)6(10)11;6-4-1-2-5(7)8-3-4/h1-2H,(H,10,11);1-3H
InChIKeyKCQYRFWFAGFASM-UHFFFAOYSA-N
XLogP4.47
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.99
LogP ≤ 54.47
H-Bond Donors ≤ 51
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 2,5-dichloropyridine;2,5-dichloropyridine-4-carboxylic acid?
The IUPAC name of 2,5-dichloropyridine;2,5-dichloropyridine-4-carboxylic acid (CID 159095928) is 2,5-dichloropyridine;2,5-dichloropyridine-4-carboxylic acid.
What is the SMILES notation for 2,5-dichloropyridine;2,5-dichloropyridine-4-carboxylic acid?
The canonical SMILES for 2,5-dichloropyridine;2,5-dichloropyridine-4-carboxylic acid is Clc1ccc(Cl)nc1.O=C(O)c1cc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloropyridine;2,5-dichloropyridine-4-carboxylic acid?
The InChIKey is KCQYRFWFAGFASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2NO2.C5H3Cl2N/c7-4-2-9-5(8)1-3(4)6(10)11;6-4-1-2-5(7)8-3-4/h1-2H,(H,10,11);1-3H.
What are the key properties of 2,5-dichloropyridine;2,5-dichloropyridine-4-carboxylic acid?
2,5-dichloropyridine;2,5-dichloropyridine-4-carboxylic acid has a molecular weight of 339.99 g/mol, XLogP of 4.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloropyridine;2,5-dichloropyridine-4-carboxylic acid is sourced from PubChem (CID 159095928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).