ethane-1,2-diol;bis(pyridine)

C12H16N2O2 — CID 69106853

IUPACethane-1,2-diol;bis(pyridine)
SMILESOCCO.c1ccncc1.c1ccncc1
InChIInChI=1S/2C5H5N.C2H6O2/c2*1-2-4-6-5-3-1;3-1-2-4/h2*1-5H;3-4H,1-2H2
InChIKeyKWSJATPDCSTWFQ-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.13
Rot. Bonds1

About ethane-1,2-diol;bis(pyridine)

ethane-1,2-diol;bis(pyridine) (PubChem CID 69106853) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is ethane-1,2-diol;bis(pyridine).

Molecular Properties

Compound Nameethane-1,2-diol;bis(pyridine)
PubChem CID69106853
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Nameethane-1,2-diol;bis(pyridine)
SMILESOCCO.c1ccncc1.c1ccncc1
InChIInChI=1S/2C5H5N.C2H6O2/c2*1-2-4-6-5-3-1;3-1-2-4/h2*1-5H;3-4H,1-2H2
InChIKeyKWSJATPDCSTWFQ-UHFFFAOYSA-N
XLogP1.13
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;bis(pyridine)?
The IUPAC name of ethane-1,2-diol;bis(pyridine) (CID 69106853) is ethane-1,2-diol;bis(pyridine).
What is the SMILES notation for ethane-1,2-diol;bis(pyridine)?
The canonical SMILES for ethane-1,2-diol;bis(pyridine) is OCCO.c1ccncc1.c1ccncc1.
What is the InChIKey of ethane-1,2-diol;bis(pyridine)?
The InChIKey is KWSJATPDCSTWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5N.C2H6O2/c2*1-2-4-6-5-3-1;3-1-2-4/h2*1-5H;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;bis(pyridine)?
ethane-1,2-diol;bis(pyridine) has a molecular weight of 220.27 g/mol, XLogP of 1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;bis(pyridine) is sourced from PubChem (CID 69106853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).