2-bromo-6,8-dimethoxyindolizine

C10H10BrNO2 — CID 170902805

IUPAC2-bromo-6,8-dimethoxyindolizine
SMILESCOc1cc(OC)c2cc(Br)cn2c1
InChIInChI=1S/C10H10BrNO2/c1-13-8-4-10(14-2)9-3-7(11)5-12(9)6-8/h3-6H,1-2H3
InChIKeyNHUHJSRATMLVKI-UHFFFAOYSA-N
MW256.10 g/mol
LogP2.72
Rot. Bonds2

About 2-bromo-6,8-dimethoxyindolizine

2-bromo-6,8-dimethoxyindolizine (PubChem CID 170902805) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is 2-bromo-6,8-dimethoxyindolizine.

Molecular Properties

Compound Name2-bromo-6,8-dimethoxyindolizine
PubChem CID170902805
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC Name2-bromo-6,8-dimethoxyindolizine
SMILESCOc1cc(OC)c2cc(Br)cn2c1
InChIInChI=1S/C10H10BrNO2/c1-13-8-4-10(14-2)9-3-7(11)5-12(9)6-8/h3-6H,1-2H3
InChIKeyNHUHJSRATMLVKI-UHFFFAOYSA-N
XLogP2.72
TPSA22.87 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6,8-dimethoxyindolizine?
The IUPAC name of 2-bromo-6,8-dimethoxyindolizine (CID 170902805) is 2-bromo-6,8-dimethoxyindolizine.
What is the SMILES notation for 2-bromo-6,8-dimethoxyindolizine?
The canonical SMILES for 2-bromo-6,8-dimethoxyindolizine is COc1cc(OC)c2cc(Br)cn2c1.
What is the InChIKey of 2-bromo-6,8-dimethoxyindolizine?
The InChIKey is NHUHJSRATMLVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO2/c1-13-8-4-10(14-2)9-3-7(11)5-12(9)6-8/h3-6H,1-2H3.
What are the key properties of 2-bromo-6,8-dimethoxyindolizine?
2-bromo-6,8-dimethoxyindolizine has a molecular weight of 256.10 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6,8-dimethoxyindolizine is sourced from PubChem (CID 170902805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).