3,5-dichloro-2-methyl-2,3-dihydropyridine

C6H7Cl2N — CID 130183532

IUPAC3,5-dichloro-2-methyl-2,3-dihydropyridine
SMILESCC1N=CC(Cl)=CC1Cl
InChIInChI=1S/C6H7Cl2N/c1-4-6(8)2-5(7)3-9-4/h2-4,6H,1H3
InChIKeyVFOZTJDIDQJITB-UHFFFAOYSA-N
MW164.03 g/mol
LogP2.19
Rot. Bonds

About 3,5-dichloro-2-methyl-2,3-dihydropyridine

3,5-dichloro-2-methyl-2,3-dihydropyridine (PubChem CID 130183532) has the molecular formula C6H7Cl2N and a molecular weight of 164.03 g/mol. Its IUPAC name is 3,5-dichloro-2-methyl-2,3-dihydropyridine.

Molecular Properties

Compound Name3,5-dichloro-2-methyl-2,3-dihydropyridine
PubChem CID130183532
Molecular FormulaC6H7Cl2N
Molecular Weight164.03 g/mol
Exact Mass163.00
IUPAC Name3,5-dichloro-2-methyl-2,3-dihydropyridine
SMILESCC1N=CC(Cl)=CC1Cl
InChIInChI=1S/C6H7Cl2N/c1-4-6(8)2-5(7)3-9-4/h2-4,6H,1H3
InChIKeyVFOZTJDIDQJITB-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
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 3,5-dichloro-2-methyl-2,3-dihydropyridine?
The IUPAC name of 3,5-dichloro-2-methyl-2,3-dihydropyridine (CID 130183532) is 3,5-dichloro-2-methyl-2,3-dihydropyridine.
What is the SMILES notation for 3,5-dichloro-2-methyl-2,3-dihydropyridine?
The canonical SMILES for 3,5-dichloro-2-methyl-2,3-dihydropyridine is CC1N=CC(Cl)=CC1Cl.
What is the InChIKey of 3,5-dichloro-2-methyl-2,3-dihydropyridine?
The InChIKey is VFOZTJDIDQJITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Cl2N/c1-4-6(8)2-5(7)3-9-4/h2-4,6H,1H3.
What are the key properties of 3,5-dichloro-2-methyl-2,3-dihydropyridine?
3,5-dichloro-2-methyl-2,3-dihydropyridine has a molecular weight of 164.03 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-methyl-2,3-dihydropyridine is sourced from PubChem (CID 130183532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).