2,5-dichloro-6-cyanopyridine-3-carboxylic acid

C7H2Cl2N2O2 — CID 129097662

IUPAC2,5-dichloro-6-cyanopyridine-3-carboxylic acid
SMILESN#Cc1nc(Cl)c(C(=O)O)cc1Cl
InChIInChI=1S/C7H2Cl2N2O2/c8-4-1-3(7(12)13)6(9)11-5(4)2-10/h1H,(H,12,13)
InChIKeyHTTOXLRETHFENY-UHFFFAOYSA-N
MW217.01 g/mol
LogP1.96
Rot. Bonds1

About 2,5-dichloro-6-cyanopyridine-3-carboxylic acid

2,5-dichloro-6-cyanopyridine-3-carboxylic acid (PubChem CID 129097662) has the molecular formula C7H2Cl2N2O2 and a molecular weight of 217.01 g/mol. Its IUPAC name is 2,5-dichloro-6-cyanopyridine-3-carboxylic acid.

Molecular Properties

Compound Name2,5-dichloro-6-cyanopyridine-3-carboxylic acid
PubChem CID129097662
Molecular FormulaC7H2Cl2N2O2
Molecular Weight217.01 g/mol
Exact Mass215.95
IUPAC Name2,5-dichloro-6-cyanopyridine-3-carboxylic acid
SMILESN#Cc1nc(Cl)c(C(=O)O)cc1Cl
InChIInChI=1S/C7H2Cl2N2O2/c8-4-1-3(7(12)13)6(9)11-5(4)2-10/h1H,(H,12,13)
InChIKeyHTTOXLRETHFENY-UHFFFAOYSA-N
XLogP1.96
TPSA73.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.01
LogP ≤ 51.96
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-dichloro-6-cyanopyridine-3-carboxylic acid?
The IUPAC name of 2,5-dichloro-6-cyanopyridine-3-carboxylic acid (CID 129097662) is 2,5-dichloro-6-cyanopyridine-3-carboxylic acid.
What is the SMILES notation for 2,5-dichloro-6-cyanopyridine-3-carboxylic acid?
The canonical SMILES for 2,5-dichloro-6-cyanopyridine-3-carboxylic acid is N#Cc1nc(Cl)c(C(=O)O)cc1Cl.
What is the InChIKey of 2,5-dichloro-6-cyanopyridine-3-carboxylic acid?
The InChIKey is HTTOXLRETHFENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl2N2O2/c8-4-1-3(7(12)13)6(9)11-5(4)2-10/h1H,(H,12,13).
What are the key properties of 2,5-dichloro-6-cyanopyridine-3-carboxylic acid?
2,5-dichloro-6-cyanopyridine-3-carboxylic acid has a molecular weight of 217.01 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-6-cyanopyridine-3-carboxylic acid is sourced from PubChem (CID 129097662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).