2-bromo-8-methoxy-6H-isochromeno[3,4-c]pyridine

C13H10BrNO2 — CID 134324079

IUPAC2-bromo-8-methoxy-6H-isochromeno[3,4-c]pyridine
SMILESCOc1ccc2c(c1)COc1cnc(Br)cc1-2
InChIInChI=1S/C13H10BrNO2/c1-16-9-2-3-10-8(4-9)7-17-12-6-15-13(14)5-11(10)12/h2-6H,7H2,1H3
InChIKeyWZRLJCZSBLHYTK-UHFFFAOYSA-N
MW292.13 g/mol
LogP3.41
Rot. Bonds1

About 2-bromo-8-methoxy-6H-isochromeno[3,4-c]pyridine

2-bromo-8-methoxy-6H-isochromeno[3,4-c]pyridine (PubChem CID 134324079) has the molecular formula C13H10BrNO2 and a molecular weight of 292.13 g/mol. Its IUPAC name is 2-bromo-8-methoxy-6H-isochromeno[3,4-c]pyridine.

Molecular Properties

Compound Name2-bromo-8-methoxy-6H-isochromeno[3,4-c]pyridine
PubChem CID134324079
Molecular FormulaC13H10BrNO2
Molecular Weight292.13 g/mol
Exact Mass290.99
IUPAC Name2-bromo-8-methoxy-6H-isochromeno[3,4-c]pyridine
SMILESCOc1ccc2c(c1)COc1cnc(Br)cc1-2
InChIInChI=1S/C13H10BrNO2/c1-16-9-2-3-10-8(4-9)7-17-12-6-15-13(14)5-11(10)12/h2-6H,7H2,1H3
InChIKeyWZRLJCZSBLHYTK-UHFFFAOYSA-N
XLogP3.41
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.13
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-8-methoxy-6H-isochromeno[3,4-c]pyridine?
The IUPAC name of 2-bromo-8-methoxy-6H-isochromeno[3,4-c]pyridine (CID 134324079) is 2-bromo-8-methoxy-6H-isochromeno[3,4-c]pyridine.
What is the SMILES notation for 2-bromo-8-methoxy-6H-isochromeno[3,4-c]pyridine?
The canonical SMILES for 2-bromo-8-methoxy-6H-isochromeno[3,4-c]pyridine is COc1ccc2c(c1)COc1cnc(Br)cc1-2.
What is the InChIKey of 2-bromo-8-methoxy-6H-isochromeno[3,4-c]pyridine?
The InChIKey is WZRLJCZSBLHYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO2/c1-16-9-2-3-10-8(4-9)7-17-12-6-15-13(14)5-11(10)12/h2-6H,7H2,1H3.
What are the key properties of 2-bromo-8-methoxy-6H-isochromeno[3,4-c]pyridine?
2-bromo-8-methoxy-6H-isochromeno[3,4-c]pyridine has a molecular weight of 292.13 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-8-methoxy-6H-isochromeno[3,4-c]pyridine is sourced from PubChem (CID 134324079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).