ethane;nitromethane;pyridine

C8H14N2O2 — CID 143226496

IUPACethane;nitromethane;pyridine
SMILESCC.C[N+](=O)[O-].c1ccncc1
InChIInChI=1S/C5H5N.C2H6.CH3NO2/c1-2-4-6-5-3-1;1-2;1-2(3)4/h1-5H;1-2H3;1H3
InChIKeyOMWXDIQJUYBISG-UHFFFAOYSA-N
MW170.21 g/mol
LogP2.00
Rot. Bonds

About ethane;nitromethane;pyridine

ethane;nitromethane;pyridine (PubChem CID 143226496) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is ethane;nitromethane;pyridine.

Molecular Properties

Compound Nameethane;nitromethane;pyridine
PubChem CID143226496
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Nameethane;nitromethane;pyridine
SMILESCC.C[N+](=O)[O-].c1ccncc1
InChIInChI=1S/C5H5N.C2H6.CH3NO2/c1-2-4-6-5-3-1;1-2;1-2(3)4/h1-5H;1-2H3;1H3
InChIKeyOMWXDIQJUYBISG-UHFFFAOYSA-N
XLogP2.00
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 52.00
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 ethane;nitromethane;pyridine?
The IUPAC name of ethane;nitromethane;pyridine (CID 143226496) is ethane;nitromethane;pyridine.
What is the SMILES notation for ethane;nitromethane;pyridine?
The canonical SMILES for ethane;nitromethane;pyridine is CC.C[N+](=O)[O-].c1ccncc1.
What is the InChIKey of ethane;nitromethane;pyridine?
The InChIKey is OMWXDIQJUYBISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.C2H6.CH3NO2/c1-2-4-6-5-3-1;1-2;1-2(3)4/h1-5H;1-2H3;1H3.
What are the key properties of ethane;nitromethane;pyridine?
ethane;nitromethane;pyridine has a molecular weight of 170.21 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;nitromethane;pyridine is sourced from PubChem (CID 143226496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).