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

C6H8ClN — CID 123436702

IUPAC2-chloro-3-methyl-2,3-dihydropyridine
SMILESCC1C=CC=NC1Cl
InChIInChI=1S/C6H8ClN/c1-5-3-2-4-8-6(5)7/h2-6H,1H3
InChIKeyMENZQZHLUZAUOA-UHFFFAOYSA-N
MW129.59 g/mol
LogP1.83
Rot. Bonds

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

2-chloro-3-methyl-2,3-dihydropyridine (PubChem CID 123436702) has the molecular formula C6H8ClN and a molecular weight of 129.59 g/mol. Its IUPAC name is 2-chloro-3-methyl-2,3-dihydropyridine.

Molecular Properties

Compound Name2-chloro-3-methyl-2,3-dihydropyridine
PubChem CID123436702
Molecular FormulaC6H8ClN
Molecular Weight129.59 g/mol
Exact Mass129.03
IUPAC Name2-chloro-3-methyl-2,3-dihydropyridine
SMILESCC1C=CC=NC1Cl
InChIInChI=1S/C6H8ClN/c1-5-3-2-4-8-6(5)7/h2-6H,1H3
InChIKeyMENZQZHLUZAUOA-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
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

3-Chloro-2,3-dihydropyridine
CID 20183270
3-Methyl-2,3-dihydropyridine
CID 21471736
3-Chloro-3-chloromethylpyridine hydrochloride
CID 23035063
2-Chloro-2,3-dihydropyridine
CID 54042964
carbanide;3-(chloromethyl)-2H-pyridin-2-ide;vanadium;yttrium
CID 59265010
(2S)-3-chloro-2-methyl-2,3-dihydropyridine
CID 67991645
(3R)-2-chloro-3,5-dimethyl-2,3-dihydropyridine
CID 68202899
1-Chloropentane;2,3-dihydropyridine
CID 70419697
2-Chloro-1-methyl-2,3-dihydropyridin-1-ium
CID 89128779
(3S)-5-chloro-3-methyl-2,3-dihydropyridine
CID 89130629
(3S)-6-chloro-3-methyl-2,3-dihydropyridine
CID 89245175
(3R)-5-chloro-3-methyl-2,3-dihydropyridine
CID 89642573

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methyl-2,3-dihydropyridine?
The IUPAC name of 2-chloro-3-methyl-2,3-dihydropyridine (CID 123436702) is 2-chloro-3-methyl-2,3-dihydropyridine.
What is the SMILES notation for 2-chloro-3-methyl-2,3-dihydropyridine?
The canonical SMILES for 2-chloro-3-methyl-2,3-dihydropyridine is CC1C=CC=NC1Cl.
What is the InChIKey of 2-chloro-3-methyl-2,3-dihydropyridine?
The InChIKey is MENZQZHLUZAUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN/c1-5-3-2-4-8-6(5)7/h2-6H,1H3.
What are the key properties of 2-chloro-3-methyl-2,3-dihydropyridine?
2-chloro-3-methyl-2,3-dihydropyridine has a molecular weight of 129.59 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methyl-2,3-dihydropyridine is sourced from PubChem (CID 123436702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).