1-(5-bromo-3-ethylimidazo[1,5-a]pyridin-1-yl)-N-methylmethanamine

C11H14BrN3 — CID 83867452

IUPAC1-(5-bromo-3-ethylimidazo[1,5-a]pyridin-1-yl)-N-methylmethanamine
SMILESCCc1nc(CNC)c2cccc(Br)n12
InChIInChI=1S/C11H14BrN3/c1-3-11-14-8(7-13-2)9-5-4-6-10(12)15(9)11/h4-6,13H,3,7H2,1-2H3
InChIKeyDZXLWDAGFZHJAA-UHFFFAOYSA-N
MW268.16 g/mol
LogP2.38
Rot. Bonds3

About 1-(5-bromo-3-ethylimidazo[1,5-a]pyridin-1-yl)-N-methylmethanamine

1-(5-bromo-3-ethylimidazo[1,5-a]pyridin-1-yl)-N-methylmethanamine (PubChem CID 83867452) has the molecular formula C11H14BrN3 and a molecular weight of 268.16 g/mol. Its IUPAC name is 1-(5-bromo-3-ethylimidazo[1,5-a]pyridin-1-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-3-ethylimidazo[1,5-a]pyridin-1-yl)-N-methylmethanamine
PubChem CID83867452
Molecular FormulaC11H14BrN3
Molecular Weight268.16 g/mol
Exact Mass267.04
IUPAC Name1-(5-bromo-3-ethylimidazo[1,5-a]pyridin-1-yl)-N-methylmethanamine
SMILESCCc1nc(CNC)c2cccc(Br)n12
InChIInChI=1S/C11H14BrN3/c1-3-11-14-8(7-13-2)9-5-4-6-10(12)15(9)11/h4-6,13H,3,7H2,1-2H3
InChIKeyDZXLWDAGFZHJAA-UHFFFAOYSA-N
XLogP2.38
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.16
LogP ≤ 52.38
H-Bond Donors ≤ 51
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 1-(5-bromo-3-ethylimidazo[1,5-a]pyridin-1-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromo-3-ethylimidazo[1,5-a]pyridin-1-yl)-N-methylmethanamine (CID 83867452) is 1-(5-bromo-3-ethylimidazo[1,5-a]pyridin-1-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromo-3-ethylimidazo[1,5-a]pyridin-1-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromo-3-ethylimidazo[1,5-a]pyridin-1-yl)-N-methylmethanamine is CCc1nc(CNC)c2cccc(Br)n12.
What is the InChIKey of 1-(5-bromo-3-ethylimidazo[1,5-a]pyridin-1-yl)-N-methylmethanamine?
The InChIKey is DZXLWDAGFZHJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3/c1-3-11-14-8(7-13-2)9-5-4-6-10(12)15(9)11/h4-6,13H,3,7H2,1-2H3.
What are the key properties of 1-(5-bromo-3-ethylimidazo[1,5-a]pyridin-1-yl)-N-methylmethanamine?
1-(5-bromo-3-ethylimidazo[1,5-a]pyridin-1-yl)-N-methylmethanamine has a molecular weight of 268.16 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-ethylimidazo[1,5-a]pyridin-1-yl)-N-methylmethanamine is sourced from PubChem (CID 83867452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).