5-N-(2-nitrophenyl)-2-N-(oxetan-3-yl)pyridine-2,5-diamine

C14H14N4O3 — CID 150511289

IUPAC5-N-(2-nitrophenyl)-2-N-(oxetan-3-yl)pyridine-2,5-diamine
SMILESO=[N+]([O-])c1ccccc1Nc1ccc(NC2COC2)nc1
InChIInChI=1S/C14H14N4O3/c19-18(20)13-4-2-1-3-12(13)16-10-5-6-14(15-7-10)17-11-8-21-9-11/h1-7,11,16H,8-9H2,(H,15,17)
InChIKeyHZWYBFLHUHYZLA-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.54
Rot. Bonds5

About 5-N-(2-nitrophenyl)-2-N-(oxetan-3-yl)pyridine-2,5-diamine

5-N-(2-nitrophenyl)-2-N-(oxetan-3-yl)pyridine-2,5-diamine (PubChem CID 150511289) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 5-N-(2-nitrophenyl)-2-N-(oxetan-3-yl)pyridine-2,5-diamine.

Molecular Properties

Compound Name5-N-(2-nitrophenyl)-2-N-(oxetan-3-yl)pyridine-2,5-diamine
PubChem CID150511289
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name5-N-(2-nitrophenyl)-2-N-(oxetan-3-yl)pyridine-2,5-diamine
SMILESO=[N+]([O-])c1ccccc1Nc1ccc(NC2COC2)nc1
InChIInChI=1S/C14H14N4O3/c19-18(20)13-4-2-1-3-12(13)16-10-5-6-14(15-7-10)17-11-8-21-9-11/h1-7,11,16H,8-9H2,(H,15,17)
InChIKeyHZWYBFLHUHYZLA-UHFFFAOYSA-N
XLogP2.54
TPSA89.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.54
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 5-N-(2-nitrophenyl)-2-N-(oxetan-3-yl)pyridine-2,5-diamine?
The IUPAC name of 5-N-(2-nitrophenyl)-2-N-(oxetan-3-yl)pyridine-2,5-diamine (CID 150511289) is 5-N-(2-nitrophenyl)-2-N-(oxetan-3-yl)pyridine-2,5-diamine.
What is the SMILES notation for 5-N-(2-nitrophenyl)-2-N-(oxetan-3-yl)pyridine-2,5-diamine?
The canonical SMILES for 5-N-(2-nitrophenyl)-2-N-(oxetan-3-yl)pyridine-2,5-diamine is O=[N+]([O-])c1ccccc1Nc1ccc(NC2COC2)nc1.
What is the InChIKey of 5-N-(2-nitrophenyl)-2-N-(oxetan-3-yl)pyridine-2,5-diamine?
The InChIKey is HZWYBFLHUHYZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c19-18(20)13-4-2-1-3-12(13)16-10-5-6-14(15-7-10)17-11-8-21-9-11/h1-7,11,16H,8-9H2,(H,15,17).
What are the key properties of 5-N-(2-nitrophenyl)-2-N-(oxetan-3-yl)pyridine-2,5-diamine?
5-N-(2-nitrophenyl)-2-N-(oxetan-3-yl)pyridine-2,5-diamine has a molecular weight of 286.29 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-nitrophenyl)-2-N-(oxetan-3-yl)pyridine-2,5-diamine is sourced from PubChem (CID 150511289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).