2-nitro-N-pyridin-2-ylpropan-1-imine

C8H9N3O2 — CID 54493373

IUPAC2-nitro-N-pyridin-2-ylpropan-1-imine
SMILESCC(C=Nc1ccccn1)[N+](=O)[O-]
InChIInChI=1S/C8H9N3O2/c1-7(11(12)13)6-10-8-4-2-3-5-9-8/h2-7H,1H3
InChIKeyXXIWDQPPWMPYMB-UHFFFAOYSA-N
MW179.18 g/mol
LogP1.45
Rot. Bonds3

About 2-nitro-N-pyridin-2-ylpropan-1-imine

2-nitro-N-pyridin-2-ylpropan-1-imine (PubChem CID 54493373) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 2-nitro-N-pyridin-2-ylpropan-1-imine.

Molecular Properties

Compound Name2-nitro-N-pyridin-2-ylpropan-1-imine
PubChem CID54493373
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name2-nitro-N-pyridin-2-ylpropan-1-imine
SMILESCC(C=Nc1ccccn1)[N+](=O)[O-]
InChIInChI=1S/C8H9N3O2/c1-7(11(12)13)6-10-8-4-2-3-5-9-8/h2-7H,1H3
InChIKeyXXIWDQPPWMPYMB-UHFFFAOYSA-N
XLogP1.45
TPSA68.39 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-nitro-N-pyridin-2-ylpropan-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-nitrophenyl)-N-pyridin-2-ylmethanimine
CID 692052
2-(1-nitropropan-2-yl)pyridine
CID 67238312
N-(3-ethyl-4-nitro-1-pyridin-2-ylpent-2-enylidene)hydroxylamine
CID 154248538
(3E)-1-(4-methylphenyl)-3-pyridin-2-yliminopropan-1-one
CID 91896388
nickel(2+);2-pyridin-2-ylpyridine;nitrate
CID 22572268
propan-2-yl(pyridin-2-yl)diazene
CID 123501557
2-bromo-4-nitro-6-(pyridin-2-yliminomethyl)phenolate
CID 7308082
3,7-dimethyl-N-pyridin-2-yloct-6-en-1-imine
CID 139678117
(E)-3,3-diphenyl-N-pyridin-2-ylprop-2-en-1-imine
CID 177386351
[(E)-3-nitrobut-1-enyl]benzene
CID 88669673
dipyridin-2-yldiazene;osmium
CID 173074203
N,N-bis(prop-2-enyl)-N'-pyridin-2-ylmethanimidamide
CID 177439354

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-pyridin-2-ylpropan-1-imine?
The IUPAC name of 2-nitro-N-pyridin-2-ylpropan-1-imine (CID 54493373) is 2-nitro-N-pyridin-2-ylpropan-1-imine.
What is the SMILES notation for 2-nitro-N-pyridin-2-ylpropan-1-imine?
The canonical SMILES for 2-nitro-N-pyridin-2-ylpropan-1-imine is CC(C=Nc1ccccn1)[N+](=O)[O-].
What is the InChIKey of 2-nitro-N-pyridin-2-ylpropan-1-imine?
The InChIKey is XXIWDQPPWMPYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c1-7(11(12)13)6-10-8-4-2-3-5-9-8/h2-7H,1H3.
What are the key properties of 2-nitro-N-pyridin-2-ylpropan-1-imine?
2-nitro-N-pyridin-2-ylpropan-1-imine has a molecular weight of 179.18 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-pyridin-2-ylpropan-1-imine is sourced from PubChem (CID 54493373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).