methyl 1-[2-(2,4-dichlorophenoxy)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate

C15H17Cl2NO3 — CID 154319373

IUPACmethyl 1-[2-(2,4-dichlorophenoxy)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCOC(=O)C1=CCCN(CCOc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C15H17Cl2NO3/c1-20-15(19)11-3-2-6-18(10-11)7-8-21-14-5-4-12(16)9-13(14)17/h3-5,9H,2,6-8,10H2,1H3
InChIKeyWPHWBRSYMNLXFO-UHFFFAOYSA-N
MW330.21 g/mol
LogP3.18
Rot. Bonds5

About methyl 1-[2-(2,4-dichlorophenoxy)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate

methyl 1-[2-(2,4-dichlorophenoxy)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate (PubChem CID 154319373) has the molecular formula C15H17Cl2NO3 and a molecular weight of 330.21 g/mol. Its IUPAC name is methyl 1-[2-(2,4-dichlorophenoxy)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(2,4-dichlorophenoxy)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate
PubChem CID154319373
Molecular FormulaC15H17Cl2NO3
Molecular Weight330.21 g/mol
Exact Mass329.06
IUPAC Namemethyl 1-[2-(2,4-dichlorophenoxy)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCOC(=O)C1=CCCN(CCOc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C15H17Cl2NO3/c1-20-15(19)11-3-2-6-18(10-11)7-8-21-14-5-4-12(16)9-13(14)17/h3-5,9H,2,6-8,10H2,1H3
InChIKeyWPHWBRSYMNLXFO-UHFFFAOYSA-N
XLogP3.18
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[2-(2,4-dichlorophenoxy)ethyl]-3,6-dihydro-2H-pyridin-5-yl] methyl carbonate
CID 70420726
methyl 1-[2-[(E)-2-(2,4-dichlorophenyl)-2-(2-methylphenyl)ethenoxy]ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate
CID 70230365
methyl 1-ethyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrochloride
CID 3087494
[1-[2-(2,4-dichlorophenoxy)ethyl]piperidin-4-yl] carbamate
CID 91459026
1-[2-(2,4-dichlorophenoxy)ethyl]piperidine-3-carboxylic acid
CID 43440816
1-[2-(2,4-dichlorophenoxy)ethyl]-4-(4-methylphenyl)sulfonylpiperazine
CID 17358154
(3R,5R)-1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpiperidine
CID 893166
(3R,5S)-1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpiperidine
CID 893165
methyl 2,6-dichloro-3-(2-pyrrolidin-1-ylethoxy)benzoate
CID 54055500
methyl 1-[(2,4-dichlorophenoxy)methyl]pyrazole-3-carboxylate
CID 7017513
potassium 2-(2,4-dichlorophenoxy)-N-oxidoacetamide
CID 23697377
4-(2,4-dichlorophenoxy)-N-(2-morpholin-4-ylethyl)butanamide
CID 4156120

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(2,4-dichlorophenoxy)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate?
The IUPAC name of methyl 1-[2-(2,4-dichlorophenoxy)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate (CID 154319373) is methyl 1-[2-(2,4-dichlorophenoxy)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate.
What is the SMILES notation for methyl 1-[2-(2,4-dichlorophenoxy)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate?
The canonical SMILES for methyl 1-[2-(2,4-dichlorophenoxy)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate is COC(=O)C1=CCCN(CCOc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of methyl 1-[2-(2,4-dichlorophenoxy)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate?
The InChIKey is WPHWBRSYMNLXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO3/c1-20-15(19)11-3-2-6-18(10-11)7-8-21-14-5-4-12(16)9-13(14)17/h3-5,9H,2,6-8,10H2,1H3.
What are the key properties of methyl 1-[2-(2,4-dichlorophenoxy)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate?
methyl 1-[2-(2,4-dichlorophenoxy)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate has a molecular weight of 330.21 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(2,4-dichlorophenoxy)ethyl]-3,6-dihydro-2H-pyridine-5-carboxylate is sourced from PubChem (CID 154319373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).