6-chloro-5-methyl-3,4-dihydropyridine

C6H8ClN — CID 89340719

IUPAC6-chloro-5-methyl-3,4-dihydropyridine
SMILESCC1=C(Cl)N=CCC1
InChIInChI=1S/C6H8ClN/c1-5-3-2-4-8-6(5)7/h4H,2-3H2,1H3
InChIKeyJAQHXSCEUGKNHH-UHFFFAOYSA-N
MW129.59 g/mol
LogP2.32
Rot. Bonds

About 6-chloro-5-methyl-3,4-dihydropyridine

6-chloro-5-methyl-3,4-dihydropyridine (PubChem CID 89340719) has the molecular formula C6H8ClN and a molecular weight of 129.59 g/mol. Its IUPAC name is 6-chloro-5-methyl-3,4-dihydropyridine.

Molecular Properties

Compound Name6-chloro-5-methyl-3,4-dihydropyridine
PubChem CID89340719
Molecular FormulaC6H8ClN
Molecular Weight129.59 g/mol
Exact Mass129.03
IUPAC Name6-chloro-5-methyl-3,4-dihydropyridine
SMILESCC1=C(Cl)N=CCC1
InChIInChI=1S/C6H8ClN/c1-5-3-2-4-8-6(5)7/h4H,2-3H2,1H3
InChIKeyJAQHXSCEUGKNHH-UHFFFAOYSA-N
XLogP2.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.59
LogP ≤ 52.32
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-5-methyl-3,4-dihydropyridine?
The IUPAC name of 6-chloro-5-methyl-3,4-dihydropyridine (CID 89340719) is 6-chloro-5-methyl-3,4-dihydropyridine.
What is the SMILES notation for 6-chloro-5-methyl-3,4-dihydropyridine?
The canonical SMILES for 6-chloro-5-methyl-3,4-dihydropyridine is CC1=C(Cl)N=CCC1.
What is the InChIKey of 6-chloro-5-methyl-3,4-dihydropyridine?
The InChIKey is JAQHXSCEUGKNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN/c1-5-3-2-4-8-6(5)7/h4H,2-3H2,1H3.
What are the key properties of 6-chloro-5-methyl-3,4-dihydropyridine?
6-chloro-5-methyl-3,4-dihydropyridine has a molecular weight of 129.59 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-3,4-dihydropyridine is sourced from PubChem (CID 89340719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).