2,3-dichloro-5-ethylpyridine

C7H7Cl2N — CID 20678674

IUPAC2,3-dichloro-5-ethylpyridine
SMILESCCc1cnc(Cl)c(Cl)c1
InChIInChI=1S/C7H7Cl2N/c1-2-5-3-6(8)7(9)10-4-5/h3-4H,2H2,1H3
InChIKeyMHGROWBJPDMBGX-UHFFFAOYSA-N
MW176.05 g/mol
LogP2.95
Rot. Bonds1

About 2,3-dichloro-5-ethylpyridine

2,3-dichloro-5-ethylpyridine (PubChem CID 20678674) has the molecular formula C7H7Cl2N and a molecular weight of 176.05 g/mol. Its IUPAC name is 2,3-dichloro-5-ethylpyridine.

Molecular Properties

Compound Name2,3-dichloro-5-ethylpyridine
PubChem CID20678674
Molecular FormulaC7H7Cl2N
Molecular Weight176.05 g/mol
Exact Mass175.00
IUPAC Name2,3-dichloro-5-ethylpyridine
SMILESCCc1cnc(Cl)c(Cl)c1
InChIInChI=1S/C7H7Cl2N/c1-2-5-3-6(8)7(9)10-4-5/h3-4H,2H2,1H3
InChIKeyMHGROWBJPDMBGX-UHFFFAOYSA-N
XLogP2.95
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.05
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2,3-dichloro-5-ethylpyridine?
The IUPAC name of 2,3-dichloro-5-ethylpyridine (CID 20678674) is 2,3-dichloro-5-ethylpyridine.
What is the SMILES notation for 2,3-dichloro-5-ethylpyridine?
The canonical SMILES for 2,3-dichloro-5-ethylpyridine is CCc1cnc(Cl)c(Cl)c1.
What is the InChIKey of 2,3-dichloro-5-ethylpyridine?
The InChIKey is MHGROWBJPDMBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2N/c1-2-5-3-6(8)7(9)10-4-5/h3-4H,2H2,1H3.
What are the key properties of 2,3-dichloro-5-ethylpyridine?
2,3-dichloro-5-ethylpyridine has a molecular weight of 176.05 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-5-ethylpyridine is sourced from PubChem (CID 20678674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).