2-(1-nitroimidazo[1,5-a]pyridin-8-yl)ethanamine

C9H10N4O2 — CID 83882697

IUPAC2-(1-nitroimidazo[1,5-a]pyridin-8-yl)ethanamine
SMILESNCCc1cccn2cnc([N+](=O)[O-])c12
InChIInChI=1S/C9H10N4O2/c10-4-3-7-2-1-5-12-6-11-9(8(7)12)13(14)15/h1-2,5-6H,3-4,10H2
InChIKeyCTKJRGNFADXTAU-UHFFFAOYSA-N
MW206.21 g/mol
LogP0.74
Rot. Bonds3

About 2-(1-nitroimidazo[1,5-a]pyridin-8-yl)ethanamine

2-(1-nitroimidazo[1,5-a]pyridin-8-yl)ethanamine (PubChem CID 83882697) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 2-(1-nitroimidazo[1,5-a]pyridin-8-yl)ethanamine.

Molecular Properties

Compound Name2-(1-nitroimidazo[1,5-a]pyridin-8-yl)ethanamine
PubChem CID83882697
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Name2-(1-nitroimidazo[1,5-a]pyridin-8-yl)ethanamine
SMILESNCCc1cccn2cnc([N+](=O)[O-])c12
InChIInChI=1S/C9H10N4O2/c10-4-3-7-2-1-5-12-6-11-9(8(7)12)13(14)15/h1-2,5-6H,3-4,10H2
InChIKeyCTKJRGNFADXTAU-UHFFFAOYSA-N
XLogP0.74
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-nitroimidazo[1,5-a]pyridin-8-yl)ethanamine?
The IUPAC name of 2-(1-nitroimidazo[1,5-a]pyridin-8-yl)ethanamine (CID 83882697) is 2-(1-nitroimidazo[1,5-a]pyridin-8-yl)ethanamine.
What is the SMILES notation for 2-(1-nitroimidazo[1,5-a]pyridin-8-yl)ethanamine?
The canonical SMILES for 2-(1-nitroimidazo[1,5-a]pyridin-8-yl)ethanamine is NCCc1cccn2cnc([N+](=O)[O-])c12.
What is the InChIKey of 2-(1-nitroimidazo[1,5-a]pyridin-8-yl)ethanamine?
The InChIKey is CTKJRGNFADXTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c10-4-3-7-2-1-5-12-6-11-9(8(7)12)13(14)15/h1-2,5-6H,3-4,10H2.
What are the key properties of 2-(1-nitroimidazo[1,5-a]pyridin-8-yl)ethanamine?
2-(1-nitroimidazo[1,5-a]pyridin-8-yl)ethanamine has a molecular weight of 206.21 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-nitroimidazo[1,5-a]pyridin-8-yl)ethanamine is sourced from PubChem (CID 83882697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).