ethanol;bis(1H-pyridin-2-one)

C12H16N2O3 — CID 174827377

IUPACethanol;bis(1H-pyridin-2-one)
SMILESCCO.O=c1cccc[nH]1.O=c1cccc[nH]1
InChIInChI=1S/2C5H5NO.C2H6O/c2*7-5-3-1-2-4-6-5;1-2-3/h2*1-4H,(H,6,7);3H,2H2,1H3
InChIKeyFMHZKKPTDKLEBD-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.75
Rot. Bonds

About ethanol;bis(1H-pyridin-2-one)

ethanol;bis(1H-pyridin-2-one) (PubChem CID 174827377) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is ethanol;bis(1H-pyridin-2-one).

Molecular Properties

Compound Nameethanol;bis(1H-pyridin-2-one)
PubChem CID174827377
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Nameethanol;bis(1H-pyridin-2-one)
SMILESCCO.O=c1cccc[nH]1.O=c1cccc[nH]1
InChIInChI=1S/2C5H5NO.C2H6O/c2*7-5-3-1-2-4-6-5;1-2-3/h2*1-4H,(H,6,7);3H,2H2,1H3
InChIKeyFMHZKKPTDKLEBD-UHFFFAOYSA-N
XLogP0.75
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethanol;bis(1H-pyridin-2-one)?
The IUPAC name of ethanol;bis(1H-pyridin-2-one) (CID 174827377) is ethanol;bis(1H-pyridin-2-one).
What is the SMILES notation for ethanol;bis(1H-pyridin-2-one)?
The canonical SMILES for ethanol;bis(1H-pyridin-2-one) is CCO.O=c1cccc[nH]1.O=c1cccc[nH]1.
What is the InChIKey of ethanol;bis(1H-pyridin-2-one)?
The InChIKey is FMHZKKPTDKLEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5NO.C2H6O/c2*7-5-3-1-2-4-6-5;1-2-3/h2*1-4H,(H,6,7);3H,2H2,1H3.
What are the key properties of ethanol;bis(1H-pyridin-2-one)?
ethanol;bis(1H-pyridin-2-one) has a molecular weight of 236.27 g/mol, XLogP of 0.75, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;bis(1H-pyridin-2-one) is sourced from PubChem (CID 174827377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).