5-[(2,4-dichlorophenyl)methyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione

C16H13Cl2NO3 — CID 70683878

IUPAC5-[(2,4-dichlorophenyl)methyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione
SMILESCC1(C)OC(=O)c2c1ccn(Cc1ccc(Cl)cc1Cl)c2=O
InChIInChI=1S/C16H13Cl2NO3/c1-16(2)11-5-6-19(14(20)13(11)15(21)22-16)8-9-3-4-10(17)7-12(9)18/h3-7H,8H2,1-2H3
InChIKeyRZOUAAQDKKKXGG-UHFFFAOYSA-N
MW338.19 g/mol
LogP3.61
Rot. Bonds2

About 5-[(2,4-dichlorophenyl)methyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione

5-[(2,4-dichlorophenyl)methyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione (PubChem CID 70683878) has the molecular formula C16H13Cl2NO3 and a molecular weight of 338.19 g/mol. Its IUPAC name is 5-[(2,4-dichlorophenyl)methyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione.

Molecular Properties

Compound Name5-[(2,4-dichlorophenyl)methyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione
PubChem CID70683878
Molecular FormulaC16H13Cl2NO3
Molecular Weight338.19 g/mol
Exact Mass337.03
IUPAC Name5-[(2,4-dichlorophenyl)methyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione
SMILESCC1(C)OC(=O)c2c1ccn(Cc1ccc(Cl)cc1Cl)c2=O
InChIInChI=1S/C16H13Cl2NO3/c1-16(2)11-5-6-19(14(20)13(11)15(21)22-16)8-9-3-4-10(17)7-12(9)18/h3-7H,8H2,1-2H3
InChIKeyRZOUAAQDKKKXGG-UHFFFAOYSA-N
XLogP3.61
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dichlorophenyl)methyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione?
The IUPAC name of 5-[(2,4-dichlorophenyl)methyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione (CID 70683878) is 5-[(2,4-dichlorophenyl)methyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione.
What is the SMILES notation for 5-[(2,4-dichlorophenyl)methyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione?
The canonical SMILES for 5-[(2,4-dichlorophenyl)methyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione is CC1(C)OC(=O)c2c1ccn(Cc1ccc(Cl)cc1Cl)c2=O.
What is the InChIKey of 5-[(2,4-dichlorophenyl)methyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione?
The InChIKey is RZOUAAQDKKKXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO3/c1-16(2)11-5-6-19(14(20)13(11)15(21)22-16)8-9-3-4-10(17)7-12(9)18/h3-7H,8H2,1-2H3.
What are the key properties of 5-[(2,4-dichlorophenyl)methyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione?
5-[(2,4-dichlorophenyl)methyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione has a molecular weight of 338.19 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dichlorophenyl)methyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione is sourced from PubChem (CID 70683878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).