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

C6H7Cl2N — CID 91535480

IUPAC4,6-dichloro-2-methyl-2,3-dihydropyridine
SMILESCC1CC(Cl)=CC(Cl)=N1
InChIInChI=1S/C6H7Cl2N/c1-4-2-5(7)3-6(8)9-4/h3-4H,2H2,1H3
InChIKeyKELLYORJLUWVIP-UHFFFAOYSA-N
MW164.03 g/mol
LogP2.54
Rot. Bonds

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

4,6-dichloro-2-methyl-2,3-dihydropyridine (PubChem CID 91535480) has the molecular formula C6H7Cl2N and a molecular weight of 164.03 g/mol. Its IUPAC name is 4,6-dichloro-2-methyl-2,3-dihydropyridine.

Molecular Properties

Compound Name4,6-dichloro-2-methyl-2,3-dihydropyridine
PubChem CID91535480
Molecular FormulaC6H7Cl2N
Molecular Weight164.03 g/mol
Exact Mass163.00
IUPAC Name4,6-dichloro-2-methyl-2,3-dihydropyridine
SMILESCC1CC(Cl)=CC(Cl)=N1
InChIInChI=1S/C6H7Cl2N/c1-4-2-5(7)3-6(8)9-4/h3-4H,2H2,1H3
InChIKeyKELLYORJLUWVIP-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

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Related Compounds

2,4,6-trichloro-2-methyl-3H-pyridine
CID 66806461
4-Chloro-6-methyl-2,3-dihydropyridine
CID 118227919
3,5-Dichloro-2-methyl-2,3-dihydropyridine
CID 130183532
4-Chloro-6-ethyl-2,3-dihydropyridine
CID 132151433
4,6-Dichloro-2,3-dihydropyridine
CID 152010202
3,5-dichloro-2-methyl-2H-pyrrole
CID 153967533
2,6-Bis(chloromethyl)-2,3-dihydropyridine
CID 164992682

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-methyl-2,3-dihydropyridine?
The IUPAC name of 4,6-dichloro-2-methyl-2,3-dihydropyridine (CID 91535480) is 4,6-dichloro-2-methyl-2,3-dihydropyridine.
What is the SMILES notation for 4,6-dichloro-2-methyl-2,3-dihydropyridine?
The canonical SMILES for 4,6-dichloro-2-methyl-2,3-dihydropyridine is CC1CC(Cl)=CC(Cl)=N1.
What is the InChIKey of 4,6-dichloro-2-methyl-2,3-dihydropyridine?
The InChIKey is KELLYORJLUWVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Cl2N/c1-4-2-5(7)3-6(8)9-4/h3-4H,2H2,1H3.
What are the key properties of 4,6-dichloro-2-methyl-2,3-dihydropyridine?
4,6-dichloro-2-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 4,6-dichloro-2-methyl-2,3-dihydropyridine is sourced from PubChem (CID 91535480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).