2-(2,5-dichloropyridine-4-carbonyl)butanoic acid

C10H9Cl2NO3 — CID 89312309

IUPAC2-(2,5-dichloropyridine-4-carbonyl)butanoic acid
SMILESCCC(C(=O)O)C(=O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C10H9Cl2NO3/c1-2-5(10(15)16)9(14)6-3-8(12)13-4-7(6)11/h3-5H,2H2,1H3,(H,15,16)
InChIKeyCZHNOFOSDIKORI-UHFFFAOYSA-N
MW262.09 g/mol
LogP2.68
Rot. Bonds4

About 2-(2,5-dichloropyridine-4-carbonyl)butanoic acid

2-(2,5-dichloropyridine-4-carbonyl)butanoic acid (PubChem CID 89312309) has the molecular formula C10H9Cl2NO3 and a molecular weight of 262.09 g/mol. Its IUPAC name is 2-(2,5-dichloropyridine-4-carbonyl)butanoic acid.

Molecular Properties

Compound Name2-(2,5-dichloropyridine-4-carbonyl)butanoic acid
PubChem CID89312309
Molecular FormulaC10H9Cl2NO3
Molecular Weight262.09 g/mol
Exact Mass261.00
IUPAC Name2-(2,5-dichloropyridine-4-carbonyl)butanoic acid
SMILESCCC(C(=O)O)C(=O)c1cc(Cl)ncc1Cl
InChIInChI=1S/C10H9Cl2NO3/c1-2-5(10(15)16)9(14)6-3-8(12)13-4-7(6)11/h3-5H,2H2,1H3,(H,15,16)
InChIKeyCZHNOFOSDIKORI-UHFFFAOYSA-N
XLogP2.68
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.09
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloropyridine-4-carbonyl)butanoic acid?
The IUPAC name of 2-(2,5-dichloropyridine-4-carbonyl)butanoic acid (CID 89312309) is 2-(2,5-dichloropyridine-4-carbonyl)butanoic acid.
What is the SMILES notation for 2-(2,5-dichloropyridine-4-carbonyl)butanoic acid?
The canonical SMILES for 2-(2,5-dichloropyridine-4-carbonyl)butanoic acid is CCC(C(=O)O)C(=O)c1cc(Cl)ncc1Cl.
What is the InChIKey of 2-(2,5-dichloropyridine-4-carbonyl)butanoic acid?
The InChIKey is CZHNOFOSDIKORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO3/c1-2-5(10(15)16)9(14)6-3-8(12)13-4-7(6)11/h3-5H,2H2,1H3,(H,15,16).
What are the key properties of 2-(2,5-dichloropyridine-4-carbonyl)butanoic acid?
2-(2,5-dichloropyridine-4-carbonyl)butanoic acid has a molecular weight of 262.09 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloropyridine-4-carbonyl)butanoic acid is sourced from PubChem (CID 89312309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).