(4R)-4-(6-bromo-4H-1,3-benzodioxin-8-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione

C17H14BrNO5 — CID 97266899

IUPAC(4R)-4-(6-bromo-4H-1,3-benzodioxin-8-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
SMILESCc1cc2c(c(=O)[nH]1)[C@@H](c1cc(Br)cc3c1OCOC3)CC(=O)O2
InChIInChI=1S/C17H14BrNO5/c1-8-2-13-15(17(21)19-8)11(5-14(20)24-13)12-4-10(18)3-9-6-22-7-23-16(9)12/h2-4,11H,5-7H2,1H3,(H,19,21)/t11-/m1/s1
InChIKeyNROTWGYFIDKYSF-LLVKDONJSA-N
MW392.21 g/mol
LogP2.75
Rot. Bonds1

About (4R)-4-(6-bromo-4H-1,3-benzodioxin-8-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione

(4R)-4-(6-bromo-4H-1,3-benzodioxin-8-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione (PubChem CID 97266899) has the molecular formula C17H14BrNO5 and a molecular weight of 392.21 g/mol. Its IUPAC name is (4R)-4-(6-bromo-4H-1,3-benzodioxin-8-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name(4R)-4-(6-bromo-4H-1,3-benzodioxin-8-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
PubChem CID97266899
Molecular FormulaC17H14BrNO5
Molecular Weight392.21 g/mol
Exact Mass391.01
IUPAC Name(4R)-4-(6-bromo-4H-1,3-benzodioxin-8-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
SMILESCc1cc2c(c(=O)[nH]1)[C@@H](c1cc(Br)cc3c1OCOC3)CC(=O)O2
InChIInChI=1S/C17H14BrNO5/c1-8-2-13-15(17(21)19-8)11(5-14(20)24-13)12-4-10(18)3-9-6-22-7-23-16(9)12/h2-4,11H,5-7H2,1H3,(H,19,21)/t11-/m1/s1
InChIKeyNROTWGYFIDKYSF-LLVKDONJSA-N
XLogP2.75
TPSA77.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.21
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4R)-4-(6-bromo-4H-1,3-benzodioxin-8-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(6-bromo-4H-1,3-benzodioxin-8-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of (4R)-4-(6-bromo-4H-1,3-benzodioxin-8-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione (CID 97266899) is (4R)-4-(6-bromo-4H-1,3-benzodioxin-8-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for (4R)-4-(6-bromo-4H-1,3-benzodioxin-8-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for (4R)-4-(6-bromo-4H-1,3-benzodioxin-8-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione is Cc1cc2c(c(=O)[nH]1)[C@@H](c1cc(Br)cc3c1OCOC3)CC(=O)O2.
What is the InChIKey of (4R)-4-(6-bromo-4H-1,3-benzodioxin-8-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is NROTWGYFIDKYSF-LLVKDONJSA-N. The full InChI is InChI=1S/C17H14BrNO5/c1-8-2-13-15(17(21)19-8)11(5-14(20)24-13)12-4-10(18)3-9-6-22-7-23-16(9)12/h2-4,11H,5-7H2,1H3,(H,19,21)/t11-/m1/s1.
What are the key properties of (4R)-4-(6-bromo-4H-1,3-benzodioxin-8-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
(4R)-4-(6-bromo-4H-1,3-benzodioxin-8-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 392.21 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(6-bromo-4H-1,3-benzodioxin-8-yl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 97266899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).