3-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methoxy]aniline

C14H12N4O3 — CID 61036118

IUPAC3-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methoxy]aniline
SMILESNc1cccc(OCc2nc3ccccn3c2[N+](=O)[O-])c1
InChIInChI=1S/C14H12N4O3/c15-10-4-3-5-11(8-10)21-9-12-14(18(19)20)17-7-2-1-6-13(17)16-12/h1-8H,9,15H2
InChIKeyUQTRKRCRWHAYDI-UHFFFAOYSA-N
MW284.28 g/mol
LogP2.40
Rot. Bonds4

About 3-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methoxy]aniline

3-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methoxy]aniline (PubChem CID 61036118) has the molecular formula C14H12N4O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 3-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methoxy]aniline.

Molecular Properties

Compound Name3-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methoxy]aniline
PubChem CID61036118
Molecular FormulaC14H12N4O3
Molecular Weight284.28 g/mol
Exact Mass284.09
IUPAC Name3-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methoxy]aniline
SMILESNc1cccc(OCc2nc3ccccn3c2[N+](=O)[O-])c1
InChIInChI=1S/C14H12N4O3/c15-10-4-3-5-11(8-10)21-9-12-14(18(19)20)17-7-2-1-6-13(17)16-12/h1-8H,9,15H2
InChIKeyUQTRKRCRWHAYDI-UHFFFAOYSA-N
XLogP2.40
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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 3-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methoxy]aniline?
The IUPAC name of 3-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methoxy]aniline (CID 61036118) is 3-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methoxy]aniline.
What is the SMILES notation for 3-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methoxy]aniline?
The canonical SMILES for 3-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methoxy]aniline is Nc1cccc(OCc2nc3ccccn3c2[N+](=O)[O-])c1.
What is the InChIKey of 3-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methoxy]aniline?
The InChIKey is UQTRKRCRWHAYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3/c15-10-4-3-5-11(8-10)21-9-12-14(18(19)20)17-7-2-1-6-13(17)16-12/h1-8H,9,15H2.
What are the key properties of 3-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methoxy]aniline?
3-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methoxy]aniline has a molecular weight of 284.28 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-nitroimidazo[1,2-a]pyridin-2-yl)methoxy]aniline is sourced from PubChem (CID 61036118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).