2-(1-nitropropan-2-yl)pyridine

C8H10N2O2 — CID 67238312

IUPAC2-(1-nitropropan-2-yl)pyridine
SMILESCC(C[N+](=O)[O-])c1ccccn1
InChIInChI=1S/C8H10N2O2/c1-7(6-10(11)12)8-4-2-3-5-9-8/h2-5,7H,6H2,1H3
InChIKeyZLTKQWPLSCBVDN-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.46
Rot. Bonds3

About 2-(1-nitropropan-2-yl)pyridine

2-(1-nitropropan-2-yl)pyridine (PubChem CID 67238312) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-(1-nitropropan-2-yl)pyridine.

Molecular Properties

Compound Name2-(1-nitropropan-2-yl)pyridine
PubChem CID67238312
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name2-(1-nitropropan-2-yl)pyridine
SMILESCC(C[N+](=O)[O-])c1ccccn1
InChIInChI=1S/C8H10N2O2/c1-7(6-10(11)12)8-4-2-3-5-9-8/h2-5,7H,6H2,1H3
InChIKeyZLTKQWPLSCBVDN-UHFFFAOYSA-N
XLogP1.46
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-(1-nitropropan-2-yl)pyridine?
The IUPAC name of 2-(1-nitropropan-2-yl)pyridine (CID 67238312) is 2-(1-nitropropan-2-yl)pyridine.
What is the SMILES notation for 2-(1-nitropropan-2-yl)pyridine?
The canonical SMILES for 2-(1-nitropropan-2-yl)pyridine is CC(C[N+](=O)[O-])c1ccccn1.
What is the InChIKey of 2-(1-nitropropan-2-yl)pyridine?
The InChIKey is ZLTKQWPLSCBVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-7(6-10(11)12)8-4-2-3-5-9-8/h2-5,7H,6H2,1H3.
What are the key properties of 2-(1-nitropropan-2-yl)pyridine?
2-(1-nitropropan-2-yl)pyridine has a molecular weight of 166.18 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-nitropropan-2-yl)pyridine is sourced from PubChem (CID 67238312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).