3-[(2,4-dichlorophenyl)-(2-methoxyprop-2-enoxy)methyl]pyridine

C16H15Cl2NO2 — CID 54170361

IUPAC3-[(2,4-dichlorophenyl)-(2-methoxyprop-2-enoxy)methyl]pyridine
SMILESC=C(COC(c1cccnc1)c1ccc(Cl)cc1Cl)OC
InChIInChI=1S/C16H15Cl2NO2/c1-11(20-2)10-21-16(12-4-3-7-19-9-12)14-6-5-13(17)8-15(14)18/h3-9,16H,1,10H2,2H3
InChIKeyOUOXWVJPDWCVSP-UHFFFAOYSA-N
MW324.21 g/mol
LogP4.65
Rot. Bonds6

About 3-[(2,4-dichlorophenyl)-(2-methoxyprop-2-enoxy)methyl]pyridine

3-[(2,4-dichlorophenyl)-(2-methoxyprop-2-enoxy)methyl]pyridine (PubChem CID 54170361) has the molecular formula C16H15Cl2NO2 and a molecular weight of 324.21 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenyl)-(2-methoxyprop-2-enoxy)methyl]pyridine.

Molecular Properties

Compound Name3-[(2,4-dichlorophenyl)-(2-methoxyprop-2-enoxy)methyl]pyridine
PubChem CID54170361
Molecular FormulaC16H15Cl2NO2
Molecular Weight324.21 g/mol
Exact Mass323.05
IUPAC Name3-[(2,4-dichlorophenyl)-(2-methoxyprop-2-enoxy)methyl]pyridine
SMILESC=C(COC(c1cccnc1)c1ccc(Cl)cc1Cl)OC
InChIInChI=1S/C16H15Cl2NO2/c1-11(20-2)10-21-16(12-4-3-7-19-9-12)14-6-5-13(17)8-15(14)18/h3-9,16H,1,10H2,2H3
InChIKeyOUOXWVJPDWCVSP-UHFFFAOYSA-N
XLogP4.65
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 3-[(2,4-dichlorophenyl)-(2-methoxyprop-2-enoxy)methyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[(2,4-dichlorophenyl)-phenylmethoxy]acetate
CID 57295323
N-[1-(2,4-dichlorophenyl)ethyl]-1-pyridin-3-ylethanamine
CID 43193785
1-(2,4-dichlorophenyl)-N-(1-pyridin-3-ylethyl)propan-1-amine
CID 43503382
3-[3-(2,4-dichlorophenyl)but-1-en-2-yl]pyridine
CID 19817057
2-(2,4-dichlorophenyl)-1,3-dipyridin-3-ylpropan-1-ol
CID 70510374
N-[(4-chlorophenyl)-pyridin-3-ylmethyl]ethanamine
CID 43488958
2,5-dichloro-N-(1-pyridin-3-ylethyl)benzamide
CID 18168780
2-(2,5-dichlorophenoxy)-N-(1-pyridin-3-ylethyl)acetamide
CID 18163135
2-(2,4-dichlorophenyl)-1-pyridin-3-yl-3-thiophen-2-ylpropan-1-ol
CID 70510984
3-[chloro-(4-chloro-2-fluorophenyl)methyl]pyridine
CID 121014902
3-methoxy-2-pyridin-3-ylpropan-1-ol
CID 117241293
3-(4-chlorophenoxy)-2-pyridin-3-ylpropan-1-ol
CID 117241285

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorophenyl)-(2-methoxyprop-2-enoxy)methyl]pyridine?
The IUPAC name of 3-[(2,4-dichlorophenyl)-(2-methoxyprop-2-enoxy)methyl]pyridine (CID 54170361) is 3-[(2,4-dichlorophenyl)-(2-methoxyprop-2-enoxy)methyl]pyridine.
What is the SMILES notation for 3-[(2,4-dichlorophenyl)-(2-methoxyprop-2-enoxy)methyl]pyridine?
The canonical SMILES for 3-[(2,4-dichlorophenyl)-(2-methoxyprop-2-enoxy)methyl]pyridine is C=C(COC(c1cccnc1)c1ccc(Cl)cc1Cl)OC.
What is the InChIKey of 3-[(2,4-dichlorophenyl)-(2-methoxyprop-2-enoxy)methyl]pyridine?
The InChIKey is OUOXWVJPDWCVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO2/c1-11(20-2)10-21-16(12-4-3-7-19-9-12)14-6-5-13(17)8-15(14)18/h3-9,16H,1,10H2,2H3.
What are the key properties of 3-[(2,4-dichlorophenyl)-(2-methoxyprop-2-enoxy)methyl]pyridine?
3-[(2,4-dichlorophenyl)-(2-methoxyprop-2-enoxy)methyl]pyridine has a molecular weight of 324.21 g/mol, XLogP of 4.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorophenyl)-(2-methoxyprop-2-enoxy)methyl]pyridine is sourced from PubChem (CID 54170361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).