2,6-dichloro-4-methyl-2,3-dihydropyridine

C6H7Cl2N — CID 123512008

IUPAC2,6-dichloro-4-methyl-2,3-dihydropyridine
SMILESCC1=CC(Cl)=NC(Cl)C1
InChIInChI=1S/C6H7Cl2N/c1-4-2-5(7)9-6(8)3-4/h2,6H,3H2,1H3
InChIKeyCHPJGEPCIJDCOO-UHFFFAOYSA-N
MW164.03 g/mol
LogP2.54
Rot. Bonds

About 2,6-dichloro-4-methyl-2,3-dihydropyridine

2,6-dichloro-4-methyl-2,3-dihydropyridine (PubChem CID 123512008) has the molecular formula C6H7Cl2N and a molecular weight of 164.03 g/mol. Its IUPAC name is 2,6-dichloro-4-methyl-2,3-dihydropyridine.

Molecular Properties

Compound Name2,6-dichloro-4-methyl-2,3-dihydropyridine
PubChem CID123512008
Molecular FormulaC6H7Cl2N
Molecular Weight164.03 g/mol
Exact Mass163.00
IUPAC Name2,6-dichloro-4-methyl-2,3-dihydropyridine
SMILESCC1=CC(Cl)=NC(Cl)C1
InChIInChI=1S/C6H7Cl2N/c1-4-2-5(7)9-6(8)3-4/h2,6H,3H2,1H3
InChIKeyCHPJGEPCIJDCOO-UHFFFAOYSA-N
XLogP2.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.03
LogP ≤ 52.54
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

3,6-Dichloro-4-(trifluoromethyl)-2,3-dihydropyridine
CID 68266720
2-Chloro-6-methyl-4-(trifluoromethyl)-2,3-dihydropyridine
CID 123257853
3,3-dichloro-4-methyl-2H-pyridine
CID 22145845
6-Chloro-4-methyl-2,3-dihydropyridine
CID 66608301
3,3-dibromo-2,6-dichloro-4-methyl-2H-pyridine
CID 66850558
3-Chloro-4-methyl-2,3-dihydropyridine
CID 89891674
3,6-Dichloro-4-methyl-2,3-dihydropyridine
CID 148238516

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-methyl-2,3-dihydropyridine?
The IUPAC name of 2,6-dichloro-4-methyl-2,3-dihydropyridine (CID 123512008) is 2,6-dichloro-4-methyl-2,3-dihydropyridine.
What is the SMILES notation for 2,6-dichloro-4-methyl-2,3-dihydropyridine?
The canonical SMILES for 2,6-dichloro-4-methyl-2,3-dihydropyridine is CC1=CC(Cl)=NC(Cl)C1.
What is the InChIKey of 2,6-dichloro-4-methyl-2,3-dihydropyridine?
The InChIKey is CHPJGEPCIJDCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Cl2N/c1-4-2-5(7)9-6(8)3-4/h2,6H,3H2,1H3.
What are the key properties of 2,6-dichloro-4-methyl-2,3-dihydropyridine?
2,6-dichloro-4-methyl-2,3-dihydropyridine has a molecular weight of 164.03 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-methyl-2,3-dihydropyridine is sourced from PubChem (CID 123512008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).