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

C17H17Cl2NO2 — CID 57301767

IUPAC3-[2-(2,4-dichlorophenyl)-1-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridine
SMILESCC1(C(Cc2ccc(Cl)cc2Cl)c2cccnc2)OCCO1
InChIInChI=1S/C17H17Cl2NO2/c1-17(21-7-8-22-17)15(13-3-2-6-20-11-13)9-12-4-5-14(18)10-16(12)19/h2-6,10-11,15H,7-9H2,1H3
InChIKeySDIWAFCOOXJFGU-UHFFFAOYSA-N
MW338.23 g/mol
LogP4.48
Rot. Bonds4

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

3-[2-(2,4-dichlorophenyl)-1-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridine (PubChem CID 57301767) has the molecular formula C17H17Cl2NO2 and a molecular weight of 338.23 g/mol. Its IUPAC name is 3-[2-(2,4-dichlorophenyl)-1-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridine.

Molecular Properties

Compound Name3-[2-(2,4-dichlorophenyl)-1-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridine
PubChem CID57301767
Molecular FormulaC17H17Cl2NO2
Molecular Weight338.23 g/mol
Exact Mass337.06
IUPAC Name3-[2-(2,4-dichlorophenyl)-1-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridine
SMILESCC1(C(Cc2ccc(Cl)cc2Cl)c2cccnc2)OCCO1
InChIInChI=1S/C17H17Cl2NO2/c1-17(21-7-8-22-17)15(13-3-2-6-20-11-13)9-12-4-5-14(18)10-16(12)19/h2-6,10-11,15H,7-9H2,1H3
InChIKeySDIWAFCOOXJFGU-UHFFFAOYSA-N
XLogP4.48
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-dichlorophenyl)-1-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridine?
The IUPAC name of 3-[2-(2,4-dichlorophenyl)-1-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridine (CID 57301767) is 3-[2-(2,4-dichlorophenyl)-1-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridine.
What is the SMILES notation for 3-[2-(2,4-dichlorophenyl)-1-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridine?
The canonical SMILES for 3-[2-(2,4-dichlorophenyl)-1-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridine is CC1(C(Cc2ccc(Cl)cc2Cl)c2cccnc2)OCCO1.
What is the InChIKey of 3-[2-(2,4-dichlorophenyl)-1-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridine?
The InChIKey is SDIWAFCOOXJFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO2/c1-17(21-7-8-22-17)15(13-3-2-6-20-11-13)9-12-4-5-14(18)10-16(12)19/h2-6,10-11,15H,7-9H2,1H3.
What are the key properties of 3-[2-(2,4-dichlorophenyl)-1-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridine?
3-[2-(2,4-dichlorophenyl)-1-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridine has a molecular weight of 338.23 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-dichlorophenyl)-1-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyridine is sourced from PubChem (CID 57301767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).