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

C7H9Cl2N — CID 164992682

IUPAC2,6-bis(chloromethyl)-2,3-dihydropyridine
SMILESClCC1=NC(CCl)CC=C1
InChIInChI=1S/C7H9Cl2N/c8-4-6-2-1-3-7(5-9)10-6/h1-2,7H,3-5H2
InChIKeyHBXJDQGDBZKSCW-UHFFFAOYSA-N
MW178.06 g/mol
LogP2.23
Rot. Bonds2

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

2,6-bis(chloromethyl)-2,3-dihydropyridine (PubChem CID 164992682) has the molecular formula C7H9Cl2N and a molecular weight of 178.06 g/mol. Its IUPAC name is 2,6-bis(chloromethyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name2,6-bis(chloromethyl)-2,3-dihydropyridine
PubChem CID164992682
Molecular FormulaC7H9Cl2N
Molecular Weight178.06 g/mol
Exact Mass177.01
IUPAC Name2,6-bis(chloromethyl)-2,3-dihydropyridine
SMILESClCC1=NC(CCl)CC=C1
InChIInChI=1S/C7H9Cl2N/c8-4-6-2-1-3-7(5-9)10-6/h1-2,7H,3-5H2
InChIKeyHBXJDQGDBZKSCW-UHFFFAOYSA-N
XLogP2.23
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.06
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(Chloromethyl)-2,3-dihydropyridine
CID 19374825
(2S)-3-chloro-2-methyl-2,3-dihydropyridine
CID 67991645
2,6-dichloro-2-(chloromethyl)-3H-pyridine
CID 68645998
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
6-(Chloromethyl)-2,5-dihydropyridine
CID 91180760
4,6-Dichloro-2-methyl-2,3-dihydropyridine
CID 91535480
2-Chloro-6-methyl-2,3-dihydropyridine
CID 163682843
2-(Chloromethyl)-2,3-dihydropyridine-6-carbonitrile
CID 176929996
[2-(Chloromethyl)-2,3-dihydropyridin-6-yl]methanimine
CID 176930576

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(chloromethyl)-2,3-dihydropyridine?
The IUPAC name of 2,6-bis(chloromethyl)-2,3-dihydropyridine (CID 164992682) is 2,6-bis(chloromethyl)-2,3-dihydropyridine.
What is the SMILES notation for 2,6-bis(chloromethyl)-2,3-dihydropyridine?
The canonical SMILES for 2,6-bis(chloromethyl)-2,3-dihydropyridine is ClCC1=NC(CCl)CC=C1.
What is the InChIKey of 2,6-bis(chloromethyl)-2,3-dihydropyridine?
The InChIKey is HBXJDQGDBZKSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl2N/c8-4-6-2-1-3-7(5-9)10-6/h1-2,7H,3-5H2.
What are the key properties of 2,6-bis(chloromethyl)-2,3-dihydropyridine?
2,6-bis(chloromethyl)-2,3-dihydropyridine has a molecular weight of 178.06 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(chloromethyl)-2,3-dihydropyridine is sourced from PubChem (CID 164992682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).