3-[2-[1-(2,4-dichlorophenyl)ethyl]-1,3-dioxolan-2-yl]pyridine

C16H15Cl2NO2 — CID 20504188

IUPAC3-[2-[1-(2,4-dichlorophenyl)ethyl]-1,3-dioxolan-2-yl]pyridine
SMILESCC(c1ccc(Cl)cc1Cl)C1(c2cccnc2)OCCO1
InChIInChI=1S/C16H15Cl2NO2/c1-11(14-5-4-13(17)9-15(14)18)16(20-7-8-21-16)12-3-2-6-19-10-12/h2-6,9-11H,7-8H2,1H3
InChIKeyQBDMHXNIOKJYBA-UHFFFAOYSA-N
MW324.21 g/mol
LogP4.39
Rot. Bonds3

About 3-[2-[1-(2,4-dichlorophenyl)ethyl]-1,3-dioxolan-2-yl]pyridine

3-[2-[1-(2,4-dichlorophenyl)ethyl]-1,3-dioxolan-2-yl]pyridine (PubChem CID 20504188) has the molecular formula C16H15Cl2NO2 and a molecular weight of 324.21 g/mol. Its IUPAC name is 3-[2-[1-(2,4-dichlorophenyl)ethyl]-1,3-dioxolan-2-yl]pyridine.

Molecular Properties

Compound Name3-[2-[1-(2,4-dichlorophenyl)ethyl]-1,3-dioxolan-2-yl]pyridine
PubChem CID20504188
Molecular FormulaC16H15Cl2NO2
Molecular Weight324.21 g/mol
Exact Mass323.05
IUPAC Name3-[2-[1-(2,4-dichlorophenyl)ethyl]-1,3-dioxolan-2-yl]pyridine
SMILESCC(c1ccc(Cl)cc1Cl)C1(c2cccnc2)OCCO1
InChIInChI=1S/C16H15Cl2NO2/c1-11(14-5-4-13(17)9-15(14)18)16(20-7-8-21-16)12-3-2-6-19-10-12/h2-6,9-11H,7-8H2,1H3
InChIKeyQBDMHXNIOKJYBA-UHFFFAOYSA-N
XLogP4.39
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-(2,4-dichlorophenyl)ethyl]-1,3-dioxolan-2-yl]pyridine?
The IUPAC name of 3-[2-[1-(2,4-dichlorophenyl)ethyl]-1,3-dioxolan-2-yl]pyridine (CID 20504188) is 3-[2-[1-(2,4-dichlorophenyl)ethyl]-1,3-dioxolan-2-yl]pyridine.
What is the SMILES notation for 3-[2-[1-(2,4-dichlorophenyl)ethyl]-1,3-dioxolan-2-yl]pyridine?
The canonical SMILES for 3-[2-[1-(2,4-dichlorophenyl)ethyl]-1,3-dioxolan-2-yl]pyridine is CC(c1ccc(Cl)cc1Cl)C1(c2cccnc2)OCCO1.
What is the InChIKey of 3-[2-[1-(2,4-dichlorophenyl)ethyl]-1,3-dioxolan-2-yl]pyridine?
The InChIKey is QBDMHXNIOKJYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO2/c1-11(14-5-4-13(17)9-15(14)18)16(20-7-8-21-16)12-3-2-6-19-10-12/h2-6,9-11H,7-8H2,1H3.
What are the key properties of 3-[2-[1-(2,4-dichlorophenyl)ethyl]-1,3-dioxolan-2-yl]pyridine?
3-[2-[1-(2,4-dichlorophenyl)ethyl]-1,3-dioxolan-2-yl]pyridine has a molecular weight of 324.21 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-(2,4-dichlorophenyl)ethyl]-1,3-dioxolan-2-yl]pyridine is sourced from PubChem (CID 20504188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).