(3R)-3-(2,4-dichlorophenyl)-6-ethoxy-2,3,4,5-tetrahydropyridine

C13H15Cl2NO — CID 124675043

IUPAC(3R)-3-(2,4-dichlorophenyl)-6-ethoxy-2,3,4,5-tetrahydropyridine
SMILESCCOC1=NC[C@@H](c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C13H15Cl2NO/c1-2-17-13-6-3-9(8-16-13)11-5-4-10(14)7-12(11)15/h4-5,7,9H,2-3,6,8H2,1H3/t9-/m0/s1
InChIKeyZVJOTIMXPCDLRP-VIFPVBQESA-N
MW272.18 g/mol
LogP4.31
Rot. Bonds2

About (3R)-3-(2,4-dichlorophenyl)-6-ethoxy-2,3,4,5-tetrahydropyridine

(3R)-3-(2,4-dichlorophenyl)-6-ethoxy-2,3,4,5-tetrahydropyridine (PubChem CID 124675043) has the molecular formula C13H15Cl2NO and a molecular weight of 272.18 g/mol. Its IUPAC name is (3R)-3-(2,4-dichlorophenyl)-6-ethoxy-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name(3R)-3-(2,4-dichlorophenyl)-6-ethoxy-2,3,4,5-tetrahydropyridine
PubChem CID124675043
Molecular FormulaC13H15Cl2NO
Molecular Weight272.18 g/mol
Exact Mass271.05
IUPAC Name(3R)-3-(2,4-dichlorophenyl)-6-ethoxy-2,3,4,5-tetrahydropyridine
SMILESCCOC1=NC[C@@H](c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C13H15Cl2NO/c1-2-17-13-6-3-9(8-16-13)11-5-4-10(14)7-12(11)15/h4-5,7,9H,2-3,6,8H2,1H3/t9-/m0/s1
InChIKeyZVJOTIMXPCDLRP-VIFPVBQESA-N
XLogP4.31
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.18
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2,4-dichlorophenyl)-6-ethoxy-2,3,4,5-tetrahydropyridine?
The IUPAC name of (3R)-3-(2,4-dichlorophenyl)-6-ethoxy-2,3,4,5-tetrahydropyridine (CID 124675043) is (3R)-3-(2,4-dichlorophenyl)-6-ethoxy-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for (3R)-3-(2,4-dichlorophenyl)-6-ethoxy-2,3,4,5-tetrahydropyridine?
The canonical SMILES for (3R)-3-(2,4-dichlorophenyl)-6-ethoxy-2,3,4,5-tetrahydropyridine is CCOC1=NC[C@@H](c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of (3R)-3-(2,4-dichlorophenyl)-6-ethoxy-2,3,4,5-tetrahydropyridine?
The InChIKey is ZVJOTIMXPCDLRP-VIFPVBQESA-N. The full InChI is InChI=1S/C13H15Cl2NO/c1-2-17-13-6-3-9(8-16-13)11-5-4-10(14)7-12(11)15/h4-5,7,9H,2-3,6,8H2,1H3/t9-/m0/s1.
What are the key properties of (3R)-3-(2,4-dichlorophenyl)-6-ethoxy-2,3,4,5-tetrahydropyridine?
(3R)-3-(2,4-dichlorophenyl)-6-ethoxy-2,3,4,5-tetrahydropyridine has a molecular weight of 272.18 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2,4-dichlorophenyl)-6-ethoxy-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 124675043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).