2-(2-methylaziridin-1-yl)-3-nitropyridine

C8H9N3O2 — CID 10921096

IUPAC2-(2-methylaziridin-1-yl)-3-nitropyridine
SMILESCC1CN1c1ncccc1[N+](=O)[O-]
InChIInChI=1S/C8H9N3O2/c1-6-5-10(6)8-7(11(12)13)3-2-4-9-8/h2-4,6H,5H2,1H3
InChIKeyMYGIAKCZWHPYRH-UHFFFAOYSA-N
MW179.18 g/mol
LogP1.20
Rot. Bonds2

About 2-(2-methylaziridin-1-yl)-3-nitropyridine

2-(2-methylaziridin-1-yl)-3-nitropyridine (PubChem CID 10921096) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 2-(2-methylaziridin-1-yl)-3-nitropyridine.

Molecular Properties

Compound Name2-(2-methylaziridin-1-yl)-3-nitropyridine
PubChem CID10921096
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name2-(2-methylaziridin-1-yl)-3-nitropyridine
SMILESCC1CN1c1ncccc1[N+](=O)[O-]
InChIInChI=1S/C8H9N3O2/c1-6-5-10(6)8-7(11(12)13)3-2-4-9-8/h2-4,6H,5H2,1H3
InChIKeyMYGIAKCZWHPYRH-UHFFFAOYSA-N
XLogP1.20
TPSA59.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylaziridin-1-yl)-3-nitropyridine?
The IUPAC name of 2-(2-methylaziridin-1-yl)-3-nitropyridine (CID 10921096) is 2-(2-methylaziridin-1-yl)-3-nitropyridine.
What is the SMILES notation for 2-(2-methylaziridin-1-yl)-3-nitropyridine?
The canonical SMILES for 2-(2-methylaziridin-1-yl)-3-nitropyridine is CC1CN1c1ncccc1[N+](=O)[O-].
What is the InChIKey of 2-(2-methylaziridin-1-yl)-3-nitropyridine?
The InChIKey is MYGIAKCZWHPYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c1-6-5-10(6)8-7(11(12)13)3-2-4-9-8/h2-4,6H,5H2,1H3.
What are the key properties of 2-(2-methylaziridin-1-yl)-3-nitropyridine?
2-(2-methylaziridin-1-yl)-3-nitropyridine has a molecular weight of 179.18 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylaziridin-1-yl)-3-nitropyridine is sourced from PubChem (CID 10921096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).