2,6-dichloro-3-propylpyridine

C8H9Cl2N — CID 23131294

IUPAC2,6-dichloro-3-propylpyridine
SMILESCCCc1ccc(Cl)nc1Cl
InChIInChI=1S/C8H9Cl2N/c1-2-3-6-4-5-7(9)11-8(6)10/h4-5H,2-3H2,1H3
InChIKeySEOQXJJTKZJMEO-UHFFFAOYSA-N
MW190.07 g/mol
LogP3.34
Rot. Bonds2

About 2,6-dichloro-3-propylpyridine

2,6-dichloro-3-propylpyridine (PubChem CID 23131294) has the molecular formula C8H9Cl2N and a molecular weight of 190.07 g/mol. Its IUPAC name is 2,6-dichloro-3-propylpyridine.

Molecular Properties

Compound Name2,6-dichloro-3-propylpyridine
PubChem CID23131294
Molecular FormulaC8H9Cl2N
Molecular Weight190.07 g/mol
Exact Mass189.01
IUPAC Name2,6-dichloro-3-propylpyridine
SMILESCCCc1ccc(Cl)nc1Cl
InChIInChI=1S/C8H9Cl2N/c1-2-3-6-4-5-7(9)11-8(6)10/h4-5H,2-3H2,1H3
InChIKeySEOQXJJTKZJMEO-UHFFFAOYSA-N
XLogP3.34
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.07
LogP ≤ 53.34
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 2,6-dichloro-3-propylpyridine?
The IUPAC name of 2,6-dichloro-3-propylpyridine (CID 23131294) is 2,6-dichloro-3-propylpyridine.
What is the SMILES notation for 2,6-dichloro-3-propylpyridine?
The canonical SMILES for 2,6-dichloro-3-propylpyridine is CCCc1ccc(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-3-propylpyridine?
The InChIKey is SEOQXJJTKZJMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2N/c1-2-3-6-4-5-7(9)11-8(6)10/h4-5H,2-3H2,1H3.
What are the key properties of 2,6-dichloro-3-propylpyridine?
2,6-dichloro-3-propylpyridine has a molecular weight of 190.07 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-propylpyridine is sourced from PubChem (CID 23131294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).