5-(2,4-dichlorophenyl)-4-methoxy-2,2-dimethyl-1,3-dihydropyridin-6-one

C14H15Cl2NO2 — CID 71047590

IUPAC5-(2,4-dichlorophenyl)-4-methoxy-2,2-dimethyl-1,3-dihydropyridin-6-one
SMILESCOC1=C(c2ccc(Cl)cc2Cl)C(=O)NC(C)(C)C1
InChIInChI=1S/C14H15Cl2NO2/c1-14(2)7-11(19-3)12(13(18)17-14)9-5-4-8(15)6-10(9)16/h4-6H,7H2,1-3H3,(H,17,18)
InChIKeyLQRQZHUSHNYQDS-UHFFFAOYSA-N
MW300.19 g/mol
LogP3.65
Rot. Bonds2

About 5-(2,4-dichlorophenyl)-4-methoxy-2,2-dimethyl-1,3-dihydropyridin-6-one

5-(2,4-dichlorophenyl)-4-methoxy-2,2-dimethyl-1,3-dihydropyridin-6-one (PubChem CID 71047590) has the molecular formula C14H15Cl2NO2 and a molecular weight of 300.19 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-4-methoxy-2,2-dimethyl-1,3-dihydropyridin-6-one.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-4-methoxy-2,2-dimethyl-1,3-dihydropyridin-6-one
PubChem CID71047590
Molecular FormulaC14H15Cl2NO2
Molecular Weight300.19 g/mol
Exact Mass299.05
IUPAC Name5-(2,4-dichlorophenyl)-4-methoxy-2,2-dimethyl-1,3-dihydropyridin-6-one
SMILESCOC1=C(c2ccc(Cl)cc2Cl)C(=O)NC(C)(C)C1
InChIInChI=1S/C14H15Cl2NO2/c1-14(2)7-11(19-3)12(13(18)17-14)9-5-4-8(15)6-10(9)16/h4-6H,7H2,1-3H3,(H,17,18)
InChIKeyLQRQZHUSHNYQDS-UHFFFAOYSA-N
XLogP3.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-4-methoxy-2,2-dimethyl-1,3-dihydropyridin-6-one?
The IUPAC name of 5-(2,4-dichlorophenyl)-4-methoxy-2,2-dimethyl-1,3-dihydropyridin-6-one (CID 71047590) is 5-(2,4-dichlorophenyl)-4-methoxy-2,2-dimethyl-1,3-dihydropyridin-6-one.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-4-methoxy-2,2-dimethyl-1,3-dihydropyridin-6-one?
The canonical SMILES for 5-(2,4-dichlorophenyl)-4-methoxy-2,2-dimethyl-1,3-dihydropyridin-6-one is COC1=C(c2ccc(Cl)cc2Cl)C(=O)NC(C)(C)C1.
What is the InChIKey of 5-(2,4-dichlorophenyl)-4-methoxy-2,2-dimethyl-1,3-dihydropyridin-6-one?
The InChIKey is LQRQZHUSHNYQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO2/c1-14(2)7-11(19-3)12(13(18)17-14)9-5-4-8(15)6-10(9)16/h4-6H,7H2,1-3H3,(H,17,18).
What are the key properties of 5-(2,4-dichlorophenyl)-4-methoxy-2,2-dimethyl-1,3-dihydropyridin-6-one?
5-(2,4-dichlorophenyl)-4-methoxy-2,2-dimethyl-1,3-dihydropyridin-6-one has a molecular weight of 300.19 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-4-methoxy-2,2-dimethyl-1,3-dihydropyridin-6-one is sourced from PubChem (CID 71047590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).