2-amino-1-(1-nitroimidazo[1,5-a]pyridin-7-yl)ethanol

C9H10N4O3 — CID 83890433

IUPAC2-amino-1-(1-nitroimidazo[1,5-a]pyridin-7-yl)ethanol
SMILESNCC(O)c1ccn2cnc([N+](=O)[O-])c2c1
InChIInChI=1S/C9H10N4O3/c10-4-8(14)6-1-2-12-5-11-9(13(15)16)7(12)3-6/h1-3,5,8,14H,4,10H2
InChIKeyVVLYGRAPKDYHNS-UHFFFAOYSA-N
MW222.20 g/mol
LogP0.23
Rot. Bonds3

About 2-amino-1-(1-nitroimidazo[1,5-a]pyridin-7-yl)ethanol

2-amino-1-(1-nitroimidazo[1,5-a]pyridin-7-yl)ethanol (PubChem CID 83890433) has the molecular formula C9H10N4O3 and a molecular weight of 222.20 g/mol. Its IUPAC name is 2-amino-1-(1-nitroimidazo[1,5-a]pyridin-7-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(1-nitroimidazo[1,5-a]pyridin-7-yl)ethanol
PubChem CID83890433
Molecular FormulaC9H10N4O3
Molecular Weight222.20 g/mol
Exact Mass222.08
IUPAC Name2-amino-1-(1-nitroimidazo[1,5-a]pyridin-7-yl)ethanol
SMILESNCC(O)c1ccn2cnc([N+](=O)[O-])c2c1
InChIInChI=1S/C9H10N4O3/c10-4-8(14)6-1-2-12-5-11-9(13(15)16)7(12)3-6/h1-3,5,8,14H,4,10H2
InChIKeyVVLYGRAPKDYHNS-UHFFFAOYSA-N
XLogP0.23
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-amino-1-(1-nitroimidazo[1,5-a]pyridin-7-yl)ethanol?
The IUPAC name of 2-amino-1-(1-nitroimidazo[1,5-a]pyridin-7-yl)ethanol (CID 83890433) is 2-amino-1-(1-nitroimidazo[1,5-a]pyridin-7-yl)ethanol.
What is the SMILES notation for 2-amino-1-(1-nitroimidazo[1,5-a]pyridin-7-yl)ethanol?
The canonical SMILES for 2-amino-1-(1-nitroimidazo[1,5-a]pyridin-7-yl)ethanol is NCC(O)c1ccn2cnc([N+](=O)[O-])c2c1.
What is the InChIKey of 2-amino-1-(1-nitroimidazo[1,5-a]pyridin-7-yl)ethanol?
The InChIKey is VVLYGRAPKDYHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3/c10-4-8(14)6-1-2-12-5-11-9(13(15)16)7(12)3-6/h1-3,5,8,14H,4,10H2.
What are the key properties of 2-amino-1-(1-nitroimidazo[1,5-a]pyridin-7-yl)ethanol?
2-amino-1-(1-nitroimidazo[1,5-a]pyridin-7-yl)ethanol has a molecular weight of 222.20 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1-nitroimidazo[1,5-a]pyridin-7-yl)ethanol is sourced from PubChem (CID 83890433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).