2,6-dichloro-3-ethylpyridine-4-carboxylic acid

C8H7Cl2NO2 — CID 87771244

IUPAC2,6-dichloro-3-ethylpyridine-4-carboxylic acid
SMILESCCc1c(C(=O)O)cc(Cl)nc1Cl
InChIInChI=1S/C8H7Cl2NO2/c1-2-4-5(8(12)13)3-6(9)11-7(4)10/h3H,2H2,1H3,(H,12,13)
InChIKeyXDQMLPHAHBNAGZ-UHFFFAOYSA-N
MW220.05 g/mol
LogP2.65
Rot. Bonds2

About 2,6-dichloro-3-ethylpyridine-4-carboxylic acid

2,6-dichloro-3-ethylpyridine-4-carboxylic acid (PubChem CID 87771244) has the molecular formula C8H7Cl2NO2 and a molecular weight of 220.05 g/mol. Its IUPAC name is 2,6-dichloro-3-ethylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2,6-dichloro-3-ethylpyridine-4-carboxylic acid
PubChem CID87771244
Molecular FormulaC8H7Cl2NO2
Molecular Weight220.05 g/mol
Exact Mass218.99
IUPAC Name2,6-dichloro-3-ethylpyridine-4-carboxylic acid
SMILESCCc1c(C(=O)O)cc(Cl)nc1Cl
InChIInChI=1S/C8H7Cl2NO2/c1-2-4-5(8(12)13)3-6(9)11-7(4)10/h3H,2H2,1H3,(H,12,13)
InChIKeyXDQMLPHAHBNAGZ-UHFFFAOYSA-N
XLogP2.65
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.05
LogP ≤ 52.65
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 2,6-dichloro-3-ethylpyridine-4-carboxylic acid?
The IUPAC name of 2,6-dichloro-3-ethylpyridine-4-carboxylic acid (CID 87771244) is 2,6-dichloro-3-ethylpyridine-4-carboxylic acid.
What is the SMILES notation for 2,6-dichloro-3-ethylpyridine-4-carboxylic acid?
The canonical SMILES for 2,6-dichloro-3-ethylpyridine-4-carboxylic acid is CCc1c(C(=O)O)cc(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-3-ethylpyridine-4-carboxylic acid?
The InChIKey is XDQMLPHAHBNAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NO2/c1-2-4-5(8(12)13)3-6(9)11-7(4)10/h3H,2H2,1H3,(H,12,13).
What are the key properties of 2,6-dichloro-3-ethylpyridine-4-carboxylic acid?
2,6-dichloro-3-ethylpyridine-4-carboxylic acid has a molecular weight of 220.05 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-ethylpyridine-4-carboxylic acid is sourced from PubChem (CID 87771244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).