ethane;methane;1-oxidopyridin-1-ium;pyridine

C16H30N2O — CID 159251318

IUPACethane;methane;1-oxidopyridin-1-ium;pyridine
SMILESC.C.CC.CC.[O-][n+]1ccccc1.c1ccncc1
InChIInChI=1S/C5H5NO.C5H5N.2C2H6.2CH4/c7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;2*1-2;;/h1-5H;1-5H;2*1-2H3;2*1H4
InChIKeyKVIIXJIUGFYMNX-UHFFFAOYSA-N
MW266.43 g/mol
LogP4.73
Rot. Bonds

About ethane;methane;1-oxidopyridin-1-ium;pyridine

ethane;methane;1-oxidopyridin-1-ium;pyridine (PubChem CID 159251318) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is ethane;methane;1-oxidopyridin-1-ium;pyridine.

Molecular Properties

Compound Nameethane;methane;1-oxidopyridin-1-ium;pyridine
PubChem CID159251318
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Nameethane;methane;1-oxidopyridin-1-ium;pyridine
SMILESC.C.CC.CC.[O-][n+]1ccccc1.c1ccncc1
InChIInChI=1S/C5H5NO.C5H5N.2C2H6.2CH4/c7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;2*1-2;;/h1-5H;1-5H;2*1-2H3;2*1H4
InChIKeyKVIIXJIUGFYMNX-UHFFFAOYSA-N
XLogP4.73
TPSA39.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

methane;1-oxidopyridin-1-ium
CID 70415464
ethane;methane;pyridine
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azane;1-oxidopyridin-1-ium
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1-oxidopyridin-1-ium;hydrochloride
CID 13001057
benzene;ethane;methane;pyridine;pyrimidine
CID 158253499
2-methyl-1-oxidopyridin-1-ium;pyridine
CID 160954375
CID 91266138
CID 91266138
sodium;methanolate;pyridine
CID 23668090
ethane;methanamine;pyridine
CID 90762425
1,5-diazecine
CID 53440348
pyridine
CID 67755510

Frequently Asked Questions

What is the IUPAC name of ethane;methane;1-oxidopyridin-1-ium;pyridine?
The IUPAC name of ethane;methane;1-oxidopyridin-1-ium;pyridine (CID 159251318) is ethane;methane;1-oxidopyridin-1-ium;pyridine.
What is the SMILES notation for ethane;methane;1-oxidopyridin-1-ium;pyridine?
The canonical SMILES for ethane;methane;1-oxidopyridin-1-ium;pyridine is C.C.CC.CC.[O-][n+]1ccccc1.c1ccncc1.
What is the InChIKey of ethane;methane;1-oxidopyridin-1-ium;pyridine?
The InChIKey is KVIIXJIUGFYMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO.C5H5N.2C2H6.2CH4/c7-6-4-2-1-3-5-6;1-2-4-6-5-3-1;2*1-2;;/h1-5H;1-5H;2*1-2H3;2*1H4.
What are the key properties of ethane;methane;1-oxidopyridin-1-ium;pyridine?
ethane;methane;1-oxidopyridin-1-ium;pyridine has a molecular weight of 266.43 g/mol, XLogP of 4.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;1-oxidopyridin-1-ium;pyridine is sourced from PubChem (CID 159251318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).