3-nitro-2-(oxan-3-yloxy)pyridine

C10H12N2O4 — CID 67395287

IUPAC3-nitro-2-(oxan-3-yloxy)pyridine
SMILESO=[N+]([O-])c1cccnc1OC1CCCOC1
InChIInChI=1S/C10H12N2O4/c13-12(14)9-4-1-5-11-10(9)16-8-3-2-6-15-7-8/h1,4-5,8H,2-3,6-7H2
InChIKeyPNWGYIAXNDWHPF-UHFFFAOYSA-N
MW224.22 g/mol
LogP1.55
Rot. Bonds3

About 3-nitro-2-(oxan-3-yloxy)pyridine

3-nitro-2-(oxan-3-yloxy)pyridine (PubChem CID 67395287) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 3-nitro-2-(oxan-3-yloxy)pyridine.

Molecular Properties

Compound Name3-nitro-2-(oxan-3-yloxy)pyridine
PubChem CID67395287
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name3-nitro-2-(oxan-3-yloxy)pyridine
SMILESO=[N+]([O-])c1cccnc1OC1CCCOC1
InChIInChI=1S/C10H12N2O4/c13-12(14)9-4-1-5-11-10(9)16-8-3-2-6-15-7-8/h1,4-5,8H,2-3,6-7H2
InChIKeyPNWGYIAXNDWHPF-UHFFFAOYSA-N
XLogP1.55
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 51.55
H-Bond Donors ≤ 50
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'}

Analyze 3-nitro-2-(oxan-3-yloxy)pyridine 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

2-cyclopentyloxy-3-nitropyridine
CID 124707283
2-[(1R,3S)-3-methoxycyclohexyl]oxy-3-nitropyridine
CID 58421668
2-[(3R)-oxan-3-yl]oxypyridin-3-amine
CID 58413066
3-nitro-2-[(3S)-pyrrolidin-3-yl]oxypyridine;hydrochloride
CID 53255983
2-[(3R,4S)-4-methoxyoxolan-3-yl]oxy-3-nitropyridine
CID 129256660
(2S,3R,4S,5R)-2-[(3-nitro-2-pyridinyl)oxy]oxane-3,4,5-triol
CID 10858605
2-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide
CID 124585246
3-(2-bromo-5-nitrophenoxy)oxane
CID 107138050
2-nitro-6-(oxolan-3-yloxy)benzonitrile
CID 66747016
[(3R,3aR,6R,6aS)-3-[(3-nitro-2-pyridinyl)oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] trifluoromethanesulfonate
CID 118498476
3-nitro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 62350491
3-nitro-2-(2-pyrrolidin-2-ylethoxy)pyridine
CID 71144755

Frequently Asked Questions

What is the IUPAC name of 3-nitro-2-(oxan-3-yloxy)pyridine?
The IUPAC name of 3-nitro-2-(oxan-3-yloxy)pyridine (CID 67395287) is 3-nitro-2-(oxan-3-yloxy)pyridine.
What is the SMILES notation for 3-nitro-2-(oxan-3-yloxy)pyridine?
The canonical SMILES for 3-nitro-2-(oxan-3-yloxy)pyridine is O=[N+]([O-])c1cccnc1OC1CCCOC1.
What is the InChIKey of 3-nitro-2-(oxan-3-yloxy)pyridine?
The InChIKey is PNWGYIAXNDWHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c13-12(14)9-4-1-5-11-10(9)16-8-3-2-6-15-7-8/h1,4-5,8H,2-3,6-7H2.
What are the key properties of 3-nitro-2-(oxan-3-yloxy)pyridine?
3-nitro-2-(oxan-3-yloxy)pyridine has a molecular weight of 224.22 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2-(oxan-3-yloxy)pyridine is sourced from PubChem (CID 67395287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).