3,5-dichloro-6-[3-(3-methoxyphenyl)propyl]-1H-pyridin-2-one

C15H15Cl2NO2 — CID 141221407

IUPAC3,5-dichloro-6-[3-(3-methoxyphenyl)propyl]-1H-pyridin-2-one
SMILESCOc1cccc(CCCc2[nH]c(=O)c(Cl)cc2Cl)c1
InChIInChI=1S/C15H15Cl2NO2/c1-20-11-6-2-4-10(8-11)5-3-7-14-12(16)9-13(17)15(19)18-14/h2,4,6,8-9H,3,5,7H2,1H3,(H,18,19)
InChIKeyOMCRZPVYHYJMJV-UHFFFAOYSA-N
MW312.20 g/mol
LogP3.87
Rot. Bonds5

About 3,5-dichloro-6-[3-(3-methoxyphenyl)propyl]-1H-pyridin-2-one

3,5-dichloro-6-[3-(3-methoxyphenyl)propyl]-1H-pyridin-2-one (PubChem CID 141221407) has the molecular formula C15H15Cl2NO2 and a molecular weight of 312.20 g/mol. Its IUPAC name is 3,5-dichloro-6-[3-(3-methoxyphenyl)propyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3,5-dichloro-6-[3-(3-methoxyphenyl)propyl]-1H-pyridin-2-one
PubChem CID141221407
Molecular FormulaC15H15Cl2NO2
Molecular Weight312.20 g/mol
Exact Mass311.05
IUPAC Name3,5-dichloro-6-[3-(3-methoxyphenyl)propyl]-1H-pyridin-2-one
SMILESCOc1cccc(CCCc2[nH]c(=O)c(Cl)cc2Cl)c1
InChIInChI=1S/C15H15Cl2NO2/c1-20-11-6-2-4-10(8-11)5-3-7-14-12(16)9-13(17)15(19)18-14/h2,4,6,8-9H,3,5,7H2,1H3,(H,18,19)
InChIKeyOMCRZPVYHYJMJV-UHFFFAOYSA-N
XLogP3.87
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-1H-pyridin-2-one
CID 16728056
1-Hydroxy-6-[(3-methoxyphenyl)methyl]-4-methylpyridin-2-one
CID 101884787
Acetamide, 2-chloro-N-(m-methoxyphenethyl)-
CID 214755
4-(4'-methoxyphenyl)-5-methylene-2(5H)pyrolone
CID 86691032
N-[1-(3-methoxyphenyl)ethenyl]acetamide
CID 11788762
N-(7-methoxy-3,4-dihydronaphthalen-2-yl)acetamide
CID 24769090
N-(5-methoxy-3,4-dihydronaphthalen-2-yl)acetamide
CID 59293485
3-amino-5-ethyl-4-[(3-methoxyphenyl)methyl]-6-methyl-1H-pyridin-2-one
CID 486939
5-(2-Fluoro-5-methoxyphenyl)-6-neopentylpyridin-2-ol
CID 117759871
3,5-dichloro-6-[(E)-2-[2-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one
CID 141221392
3,5-dichloro-6-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-1H-pyridin-2-one
CID 141221398
3-chloro-5-cyclopropyl-6-[2-[3-(trifluoromethoxy)phenyl]ethyl]-1H-pyridin-2-one
CID 141221401

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-[3-(3-methoxyphenyl)propyl]-1H-pyridin-2-one?
The IUPAC name of 3,5-dichloro-6-[3-(3-methoxyphenyl)propyl]-1H-pyridin-2-one (CID 141221407) is 3,5-dichloro-6-[3-(3-methoxyphenyl)propyl]-1H-pyridin-2-one.
What is the SMILES notation for 3,5-dichloro-6-[3-(3-methoxyphenyl)propyl]-1H-pyridin-2-one?
The canonical SMILES for 3,5-dichloro-6-[3-(3-methoxyphenyl)propyl]-1H-pyridin-2-one is COc1cccc(CCCc2[nH]c(=O)c(Cl)cc2Cl)c1.
What is the InChIKey of 3,5-dichloro-6-[3-(3-methoxyphenyl)propyl]-1H-pyridin-2-one?
The InChIKey is OMCRZPVYHYJMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2/c1-20-11-6-2-4-10(8-11)5-3-7-14-12(16)9-13(17)15(19)18-14/h2,4,6,8-9H,3,5,7H2,1H3,(H,18,19).
What are the key properties of 3,5-dichloro-6-[3-(3-methoxyphenyl)propyl]-1H-pyridin-2-one?
3,5-dichloro-6-[3-(3-methoxyphenyl)propyl]-1H-pyridin-2-one has a molecular weight of 312.20 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-[3-(3-methoxyphenyl)propyl]-1H-pyridin-2-one is sourced from PubChem (CID 141221407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).