4-(4-chlorophenyl)-1-methyl-3,6-dihydro-2H-pyridine;sulfur dioxide

C12H14ClNO2S — CID 159627666

IUPAC4-(4-chlorophenyl)-1-methyl-3,6-dihydro-2H-pyridine;sulfur dioxide
SMILESCN1CC=C(c2ccc(Cl)cc2)CC1.O=S=O
InChIInChI=1S/C12H14ClN.O2S/c1-14-8-6-11(7-9-14)10-2-4-12(13)5-3-10;1-3-2/h2-6H,7-9H2,1H3;
InChIKeyMOSCGPJJRRFCEF-UHFFFAOYSA-N
MW271.77 g/mol
LogP2.39
Rot. Bonds1

About 4-(4-chlorophenyl)-1-methyl-3,6-dihydro-2H-pyridine;sulfur dioxide

4-(4-chlorophenyl)-1-methyl-3,6-dihydro-2H-pyridine;sulfur dioxide (PubChem CID 159627666) has the molecular formula C12H14ClNO2S and a molecular weight of 271.77 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-methyl-3,6-dihydro-2H-pyridine;sulfur dioxide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-methyl-3,6-dihydro-2H-pyridine;sulfur dioxide
PubChem CID159627666
Molecular FormulaC12H14ClNO2S
Molecular Weight271.77 g/mol
Exact Mass271.04
IUPAC Name4-(4-chlorophenyl)-1-methyl-3,6-dihydro-2H-pyridine;sulfur dioxide
SMILESCN1CC=C(c2ccc(Cl)cc2)CC1.O=S=O
InChIInChI=1S/C12H14ClN.O2S/c1-14-8-6-11(7-9-14)10-2-4-12(13)5-3-10;1-3-2/h2-6H,7-9H2,1H3;
InChIKeyMOSCGPJJRRFCEF-UHFFFAOYSA-N
XLogP2.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.77
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-methyl-3,6-dihydro-2H-pyridine;sulfur dioxide?
The IUPAC name of 4-(4-chlorophenyl)-1-methyl-3,6-dihydro-2H-pyridine;sulfur dioxide (CID 159627666) is 4-(4-chlorophenyl)-1-methyl-3,6-dihydro-2H-pyridine;sulfur dioxide.
What is the SMILES notation for 4-(4-chlorophenyl)-1-methyl-3,6-dihydro-2H-pyridine;sulfur dioxide?
The canonical SMILES for 4-(4-chlorophenyl)-1-methyl-3,6-dihydro-2H-pyridine;sulfur dioxide is CN1CC=C(c2ccc(Cl)cc2)CC1.O=S=O.
What is the InChIKey of 4-(4-chlorophenyl)-1-methyl-3,6-dihydro-2H-pyridine;sulfur dioxide?
The InChIKey is MOSCGPJJRRFCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN.O2S/c1-14-8-6-11(7-9-14)10-2-4-12(13)5-3-10;1-3-2/h2-6H,7-9H2,1H3;.
What are the key properties of 4-(4-chlorophenyl)-1-methyl-3,6-dihydro-2H-pyridine;sulfur dioxide?
4-(4-chlorophenyl)-1-methyl-3,6-dihydro-2H-pyridine;sulfur dioxide has a molecular weight of 271.77 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-methyl-3,6-dihydro-2H-pyridine;sulfur dioxide is sourced from PubChem (CID 159627666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).