4-(2-chlorophenyl)-1,3,4,7-tetrahydrofuro[3,4-b]pyridine-2,5-dione

C13H10ClNO3 — CID 615066

IUPAC4-(2-chlorophenyl)-1,3,4,7-tetrahydrofuro[3,4-b]pyridine-2,5-dione
SMILESO=C1CC(c2ccccc2Cl)C2=C(COC2=O)N1
InChIInChI=1S/C13H10ClNO3/c14-9-4-2-1-3-7(9)8-5-11(16)15-10-6-18-13(17)12(8)10/h1-4,8H,5-6H2,(H,15,16)
InChIKeyKVFFSJYICJDNJK-UHFFFAOYSA-N
MW263.68 g/mol
LogP1.75
Rot. Bonds1

About 4-(2-chlorophenyl)-1,3,4,7-tetrahydrofuro[3,4-b]pyridine-2,5-dione

4-(2-chlorophenyl)-1,3,4,7-tetrahydrofuro[3,4-b]pyridine-2,5-dione (PubChem CID 615066) has the molecular formula C13H10ClNO3 and a molecular weight of 263.68 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-1,3,4,7-tetrahydrofuro[3,4-b]pyridine-2,5-dione.

Molecular Properties

Compound Name4-(2-chlorophenyl)-1,3,4,7-tetrahydrofuro[3,4-b]pyridine-2,5-dione
PubChem CID615066
Molecular FormulaC13H10ClNO3
Molecular Weight263.68 g/mol
Exact Mass263.03
IUPAC Name4-(2-chlorophenyl)-1,3,4,7-tetrahydrofuro[3,4-b]pyridine-2,5-dione
SMILESO=C1CC(c2ccccc2Cl)C2=C(COC2=O)N1
InChIInChI=1S/C13H10ClNO3/c14-9-4-2-1-3-7(9)8-5-11(16)15-10-6-18-13(17)12(8)10/h1-4,8H,5-6H2,(H,15,16)
InChIKeyKVFFSJYICJDNJK-UHFFFAOYSA-N
XLogP1.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-1,3,4,7-tetrahydrofuro[3,4-b]pyridine-2,5-dione?
The IUPAC name of 4-(2-chlorophenyl)-1,3,4,7-tetrahydrofuro[3,4-b]pyridine-2,5-dione (CID 615066) is 4-(2-chlorophenyl)-1,3,4,7-tetrahydrofuro[3,4-b]pyridine-2,5-dione.
What is the SMILES notation for 4-(2-chlorophenyl)-1,3,4,7-tetrahydrofuro[3,4-b]pyridine-2,5-dione?
The canonical SMILES for 4-(2-chlorophenyl)-1,3,4,7-tetrahydrofuro[3,4-b]pyridine-2,5-dione is O=C1CC(c2ccccc2Cl)C2=C(COC2=O)N1.
What is the InChIKey of 4-(2-chlorophenyl)-1,3,4,7-tetrahydrofuro[3,4-b]pyridine-2,5-dione?
The InChIKey is KVFFSJYICJDNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO3/c14-9-4-2-1-3-7(9)8-5-11(16)15-10-6-18-13(17)12(8)10/h1-4,8H,5-6H2,(H,15,16).
What are the key properties of 4-(2-chlorophenyl)-1,3,4,7-tetrahydrofuro[3,4-b]pyridine-2,5-dione?
4-(2-chlorophenyl)-1,3,4,7-tetrahydrofuro[3,4-b]pyridine-2,5-dione has a molecular weight of 263.68 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-1,3,4,7-tetrahydrofuro[3,4-b]pyridine-2,5-dione is sourced from PubChem (CID 615066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).