2-chloro-6-(chloromethyl)-2,3-dihydropyridine

C6H7Cl2N — CID 89105826

IUPAC2-chloro-6-(chloromethyl)-2,3-dihydropyridine
SMILESClCC1=NC(Cl)CC=C1
InChIInChI=1S/C6H7Cl2N/c7-4-5-2-1-3-6(8)9-5/h1-2,6H,3-4H2
InChIKeyWMLVQRMOOBXZMY-UHFFFAOYSA-N
MW164.03 g/mol
LogP2.19
Rot. Bonds1

About 2-chloro-6-(chloromethyl)-2,3-dihydropyridine

2-chloro-6-(chloromethyl)-2,3-dihydropyridine (PubChem CID 89105826) has the molecular formula C6H7Cl2N and a molecular weight of 164.03 g/mol. Its IUPAC name is 2-chloro-6-(chloromethyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name2-chloro-6-(chloromethyl)-2,3-dihydropyridine
PubChem CID89105826
Molecular FormulaC6H7Cl2N
Molecular Weight164.03 g/mol
Exact Mass163.00
IUPAC Name2-chloro-6-(chloromethyl)-2,3-dihydropyridine
SMILESClCC1=NC(Cl)CC=C1
InChIInChI=1S/C6H7Cl2N/c7-4-5-2-1-3-6(8)9-5/h1-2,6H,3-4H2
InChIKeyWMLVQRMOOBXZMY-UHFFFAOYSA-N
XLogP2.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.03
LogP ≤ 52.19
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(chloromethyl)-2,3-dihydropyridine?
The IUPAC name of 2-chloro-6-(chloromethyl)-2,3-dihydropyridine (CID 89105826) is 2-chloro-6-(chloromethyl)-2,3-dihydropyridine.
What is the SMILES notation for 2-chloro-6-(chloromethyl)-2,3-dihydropyridine?
The canonical SMILES for 2-chloro-6-(chloromethyl)-2,3-dihydropyridine is ClCC1=NC(Cl)CC=C1.
What is the InChIKey of 2-chloro-6-(chloromethyl)-2,3-dihydropyridine?
The InChIKey is WMLVQRMOOBXZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Cl2N/c7-4-5-2-1-3-6(8)9-5/h1-2,6H,3-4H2.
What are the key properties of 2-chloro-6-(chloromethyl)-2,3-dihydropyridine?
2-chloro-6-(chloromethyl)-2,3-dihydropyridine has a molecular weight of 164.03 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(chloromethyl)-2,3-dihydropyridine is sourced from PubChem (CID 89105826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).