ethane;pyridin-3-ol;1H-pyridin-4-one

C14H22N2O2 — CID 159083405

IUPACethane;pyridin-3-ol;1H-pyridin-4-one
SMILESCC.CC.O=c1cc[nH]cc1.Oc1cccnc1
InChIInChI=1S/2C5H5NO.2C2H6/c7-5-1-3-6-4-2-5;7-5-2-1-3-6-4-5;2*1-2/h1-4H,(H,6,7);1-4,7H;2*1-2H3
InChIKeyKBDIPGONYGOMBA-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.21
Rot. Bonds

About ethane;pyridin-3-ol;1H-pyridin-4-one

ethane;pyridin-3-ol;1H-pyridin-4-one (PubChem CID 159083405) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is ethane;pyridin-3-ol;1H-pyridin-4-one.

Molecular Properties

Compound Nameethane;pyridin-3-ol;1H-pyridin-4-one
PubChem CID159083405
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Nameethane;pyridin-3-ol;1H-pyridin-4-one
SMILESCC.CC.O=c1cc[nH]cc1.Oc1cccnc1
InChIInChI=1S/2C5H5NO.2C2H6/c7-5-1-3-6-4-2-5;7-5-2-1-3-6-4-5;2*1-2/h1-4H,(H,6,7);1-4,7H;2*1-2H3
InChIKeyKBDIPGONYGOMBA-UHFFFAOYSA-N
XLogP3.21
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;pyridin-3-ol;1H-pyridin-4-one?
The IUPAC name of ethane;pyridin-3-ol;1H-pyridin-4-one (CID 159083405) is ethane;pyridin-3-ol;1H-pyridin-4-one.
What is the SMILES notation for ethane;pyridin-3-ol;1H-pyridin-4-one?
The canonical SMILES for ethane;pyridin-3-ol;1H-pyridin-4-one is CC.CC.O=c1cc[nH]cc1.Oc1cccnc1.
What is the InChIKey of ethane;pyridin-3-ol;1H-pyridin-4-one?
The InChIKey is KBDIPGONYGOMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5NO.2C2H6/c7-5-1-3-6-4-2-5;7-5-2-1-3-6-4-5;2*1-2/h1-4H,(H,6,7);1-4,7H;2*1-2H3.
What are the key properties of ethane;pyridin-3-ol;1H-pyridin-4-one?
ethane;pyridin-3-ol;1H-pyridin-4-one has a molecular weight of 250.34 g/mol, XLogP of 3.21, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;pyridin-3-ol;1H-pyridin-4-one is sourced from PubChem (CID 159083405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).