2-(chloromethyl)-2,3-dihydropyridine

C6H8ClN — CID 19374825

IUPAC2-(chloromethyl)-2,3-dihydropyridine
SMILESClCC1CC=CC=N1
InChIInChI=1S/C6H8ClN/c7-5-6-3-1-2-4-8-6/h1-2,4,6H,3,5H2
InChIKeyOYLQULRLTXTTTD-UHFFFAOYSA-N
MW129.59 g/mol
LogP1.62
Rot. Bonds1

About 2-(chloromethyl)-2,3-dihydropyridine

2-(chloromethyl)-2,3-dihydropyridine (PubChem CID 19374825) has the molecular formula C6H8ClN and a molecular weight of 129.59 g/mol. Its IUPAC name is 2-(chloromethyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name2-(chloromethyl)-2,3-dihydropyridine
PubChem CID19374825
Molecular FormulaC6H8ClN
Molecular Weight129.59 g/mol
Exact Mass129.03
IUPAC Name2-(chloromethyl)-2,3-dihydropyridine
SMILESClCC1CC=CC=N1
InChIInChI=1S/C6H8ClN/c7-5-6-3-1-2-4-8-6/h1-2,4,6H,3,5H2
InChIKeyOYLQULRLTXTTTD-UHFFFAOYSA-N
XLogP1.62
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.59
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-2,3-dihydropyridine?
The IUPAC name of 2-(chloromethyl)-2,3-dihydropyridine (CID 19374825) is 2-(chloromethyl)-2,3-dihydropyridine.
What is the SMILES notation for 2-(chloromethyl)-2,3-dihydropyridine?
The canonical SMILES for 2-(chloromethyl)-2,3-dihydropyridine is ClCC1CC=CC=N1.
What is the InChIKey of 2-(chloromethyl)-2,3-dihydropyridine?
The InChIKey is OYLQULRLTXTTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN/c7-5-6-3-1-2-4-8-6/h1-2,4,6H,3,5H2.
What are the key properties of 2-(chloromethyl)-2,3-dihydropyridine?
2-(chloromethyl)-2,3-dihydropyridine has a molecular weight of 129.59 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-2,3-dihydropyridine is sourced from PubChem (CID 19374825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).