2-chloro-6-methyl-2,3-dihydropyridine

C6H8ClN — CID 163682843

IUPAC2-chloro-6-methyl-2,3-dihydropyridine
SMILESCC1=NC(Cl)CC=C1
InChIInChI=1S/C6H8ClN/c1-5-3-2-4-6(7)8-5/h2-3,6H,4H2,1H3
InChIKeyJMGJHESOZIVFMZ-UHFFFAOYSA-N
MW129.59 g/mol
LogP1.97
Rot. Bonds

About 2-chloro-6-methyl-2,3-dihydropyridine

2-chloro-6-methyl-2,3-dihydropyridine (PubChem CID 163682843) has the molecular formula C6H8ClN and a molecular weight of 129.59 g/mol. Its IUPAC name is 2-chloro-6-methyl-2,3-dihydropyridine.

Molecular Properties

Compound Name2-chloro-6-methyl-2,3-dihydropyridine
PubChem CID163682843
Molecular FormulaC6H8ClN
Molecular Weight129.59 g/mol
Exact Mass129.03
IUPAC Name2-chloro-6-methyl-2,3-dihydropyridine
SMILESCC1=NC(Cl)CC=C1
InChIInChI=1S/C6H8ClN/c1-5-3-2-4-6(7)8-5/h2-3,6H,4H2,1H3
InChIKeyJMGJHESOZIVFMZ-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-Methyl-2,3-dihydropyridine
CID 53833017
2-Chloro-2,3-dihydropyridine
CID 54042964
(E)-4-chloro-N-methylpent-3-en-2-imine
CID 58359864
(2S)-3-chloro-2-methyl-2,3-dihydropyridine
CID 67991645
4-chloro-N-methylpent-3-en-2-imine
CID 76733626
2-Chloro-6-(chloromethyl)-2,3-dihydropyridine
CID 89105826
3-Chloro-6-methyl-2,3-dihydropyridine
CID 89932265
(3R)-3-chloro-6-methyl-2,3-dihydropyridine
CID 89932269
(Z)-5-chloro-N-ethenylhex-3-en-2-imine
CID 90048222
6-(Chloromethyl)-2,5-dihydropyridine
CID 91180760
6-(Chloromethyl)-3-methyl-2,3-dihydropyridine
CID 91208172
3-chloro-7-methyl-4H-azepine
CID 91274266

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-2,3-dihydropyridine?
The IUPAC name of 2-chloro-6-methyl-2,3-dihydropyridine (CID 163682843) is 2-chloro-6-methyl-2,3-dihydropyridine.
What is the SMILES notation for 2-chloro-6-methyl-2,3-dihydropyridine?
The canonical SMILES for 2-chloro-6-methyl-2,3-dihydropyridine is CC1=NC(Cl)CC=C1.
What is the InChIKey of 2-chloro-6-methyl-2,3-dihydropyridine?
The InChIKey is JMGJHESOZIVFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN/c1-5-3-2-4-6(7)8-5/h2-3,6H,4H2,1H3.
What are the key properties of 2-chloro-6-methyl-2,3-dihydropyridine?
2-chloro-6-methyl-2,3-dihydropyridine has a molecular weight of 129.59 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-2,3-dihydropyridine is sourced from PubChem (CID 163682843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).