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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Related Compounds

2-(2,5-dichlorophenyl)-1-pyridin-3-ylethanamine
CID 65321274
[1-(2,4-dichlorophenyl)-3-pyridin-3-ylpropan-2-yl]hydrazine
CID 105200159
3-[2-[1-(2,4-dichlorophenyl)ethyl]-1,3-dioxolan-2-yl]pyridine
CID 20504188
2-(2,4-dichlorophenyl)-1,3-dipyridin-3-ylpropan-1-ol
CID 70510374
3-bromopyridine;1-(2,4-dichlorophenyl)propan-2-one
CID 160824374
2-[2-(2,4-dichlorophenyl)ethylidene]-1-pyridin-3-ylhexan-1-ol
CID 54420935
2-(2,4-dichlorophenyl)-3-(2-pyridin-3-ylpropyl)pyridine;methanamine
CID 143520386
N-[(2,4-dichlorophenyl)methyl]pyridin-3-amine;dihydrochloride
CID 71432381
[2-(2,4-dichlorophenyl)-1-(4-methyl-3-pyridinyl)ethyl]hydrazine
CID 105200174
N-[(4-chloro-2-methylphenyl)methyl]-1-pyridin-3-ylethanamine
CID 104853862
N-[1-(2,4-dichlorophenyl)ethyl]-1-pyridin-3-ylethanamine
CID 43193785
1,3-bis(2,4-dichlorophenyl)propan-2-ol
CID 63410533

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).