6-chloro-4-ethyl-3,4-dihydropyridine

C7H10ClN — CID 89285206

IUPAC6-chloro-4-ethyl-3,4-dihydropyridine
SMILESCCC1C=C(Cl)N=CC1
InChIInChI=1S/C7H10ClN/c1-2-6-3-4-9-7(8)5-6/h4-6H,2-3H2,1H3
InChIKeyUEVWSDLJNQBZJC-UHFFFAOYSA-N
MW143.62 g/mol
LogP2.57
Rot. Bonds1

About 6-chloro-4-ethyl-3,4-dihydropyridine

6-chloro-4-ethyl-3,4-dihydropyridine (PubChem CID 89285206) has the molecular formula C7H10ClN and a molecular weight of 143.62 g/mol. Its IUPAC name is 6-chloro-4-ethyl-3,4-dihydropyridine.

Molecular Properties

Compound Name6-chloro-4-ethyl-3,4-dihydropyridine
PubChem CID89285206
Molecular FormulaC7H10ClN
Molecular Weight143.62 g/mol
Exact Mass143.05
IUPAC Name6-chloro-4-ethyl-3,4-dihydropyridine
SMILESCCC1C=C(Cl)N=CC1
InChIInChI=1S/C7H10ClN/c1-2-6-3-4-9-7(8)5-6/h4-6H,2-3H2,1H3
InChIKeyUEVWSDLJNQBZJC-UHFFFAOYSA-N
XLogP2.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.62
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-ethyl-3,4-dihydropyridine?
The IUPAC name of 6-chloro-4-ethyl-3,4-dihydropyridine (CID 89285206) is 6-chloro-4-ethyl-3,4-dihydropyridine.
What is the SMILES notation for 6-chloro-4-ethyl-3,4-dihydropyridine?
The canonical SMILES for 6-chloro-4-ethyl-3,4-dihydropyridine is CCC1C=C(Cl)N=CC1.
What is the InChIKey of 6-chloro-4-ethyl-3,4-dihydropyridine?
The InChIKey is UEVWSDLJNQBZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN/c1-2-6-3-4-9-7(8)5-6/h4-6H,2-3H2,1H3.
What are the key properties of 6-chloro-4-ethyl-3,4-dihydropyridine?
6-chloro-4-ethyl-3,4-dihydropyridine has a molecular weight of 143.62 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-ethyl-3,4-dihydropyridine is sourced from PubChem (CID 89285206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).