4-[(3-bromophenyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione

C15H10BrNO4 — CID 58317070

IUPAC4-[(3-bromophenyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESO=C1Cc2oc(=O)cc(Cc3cccc(Br)c3)c2C(=O)N1
InChIInChI=1S/C15H10BrNO4/c16-10-3-1-2-8(5-10)4-9-6-13(19)21-11-7-12(18)17-15(20)14(9)11/h1-3,5-6H,4,7H2,(H,17,18,20)
InChIKeyGEQYNRDTXISMGZ-UHFFFAOYSA-N
MW348.15 g/mol
LogP1.81
Rot. Bonds2

About 4-[(3-bromophenyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione

4-[(3-bromophenyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione (PubChem CID 58317070) has the molecular formula C15H10BrNO4 and a molecular weight of 348.15 g/mol. Its IUPAC name is 4-[(3-bromophenyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione.

Molecular Properties

Compound Name4-[(3-bromophenyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
PubChem CID58317070
Molecular FormulaC15H10BrNO4
Molecular Weight348.15 g/mol
Exact Mass346.98
IUPAC Name4-[(3-bromophenyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESO=C1Cc2oc(=O)cc(Cc3cccc(Br)c3)c2C(=O)N1
InChIInChI=1S/C15H10BrNO4/c16-10-3-1-2-8(5-10)4-9-6-13(19)21-11-7-12(18)17-15(20)14(9)11/h1-3,5-6H,4,7H2,(H,17,18,20)
InChIKeyGEQYNRDTXISMGZ-UHFFFAOYSA-N
XLogP1.81
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.15
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-[(2-fluorophenyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317164
4-[(3-fluorophenyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317169
4-(4-phenylbut-3-ynyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317032
4-benzyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317033
5-[(3-bromophenyl)methyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
CID 59304864
4-(3-Bromobenzyl)-1-ethyl-6,7-dimethoxyisoquinolin-3-ol
CID 68182156

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromophenyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The IUPAC name of 4-[(3-bromophenyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione (CID 58317070) is 4-[(3-bromophenyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione.
What is the SMILES notation for 4-[(3-bromophenyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The canonical SMILES for 4-[(3-bromophenyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione is O=C1Cc2oc(=O)cc(Cc3cccc(Br)c3)c2C(=O)N1.
What is the InChIKey of 4-[(3-bromophenyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The InChIKey is GEQYNRDTXISMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO4/c16-10-3-1-2-8(5-10)4-9-6-13(19)21-11-7-12(18)17-15(20)14(9)11/h1-3,5-6H,4,7H2,(H,17,18,20).
What are the key properties of 4-[(3-bromophenyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
4-[(3-bromophenyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione has a molecular weight of 348.15 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-bromophenyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione is sourced from PubChem (CID 58317070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).