ethyl formate;3-hydroxy-1H-pyridin-4-one

C8H11NO4 — CID 174487569

IUPACethyl formate;3-hydroxy-1H-pyridin-4-one
SMILESCCOC=O.O=c1cc[nH]cc1O
InChIInChI=1S/C5H5NO2.C3H6O2/c7-4-1-2-6-3-5(4)8;1-2-5-3-4/h1-3,8H,(H,6,7);3H,2H2,1H3
InChIKeyLTYIEWACVBUPEZ-UHFFFAOYSA-N
MW185.18 g/mol
LogP0.26
Rot. Bonds2

About ethyl formate;3-hydroxy-1H-pyridin-4-one

ethyl formate;3-hydroxy-1H-pyridin-4-one (PubChem CID 174487569) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is ethyl formate;3-hydroxy-1H-pyridin-4-one.

Molecular Properties

Compound Nameethyl formate;3-hydroxy-1H-pyridin-4-one
PubChem CID174487569
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Nameethyl formate;3-hydroxy-1H-pyridin-4-one
SMILESCCOC=O.O=c1cc[nH]cc1O
InChIInChI=1S/C5H5NO2.C3H6O2/c7-4-1-2-6-3-5(4)8;1-2-5-3-4/h1-3,8H,(H,6,7);3H,2H2,1H3
InChIKeyLTYIEWACVBUPEZ-UHFFFAOYSA-N
XLogP0.26
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl formate;3-hydroxy-1H-pyridin-4-one?
The IUPAC name of ethyl formate;3-hydroxy-1H-pyridin-4-one (CID 174487569) is ethyl formate;3-hydroxy-1H-pyridin-4-one.
What is the SMILES notation for ethyl formate;3-hydroxy-1H-pyridin-4-one?
The canonical SMILES for ethyl formate;3-hydroxy-1H-pyridin-4-one is CCOC=O.O=c1cc[nH]cc1O.
What is the InChIKey of ethyl formate;3-hydroxy-1H-pyridin-4-one?
The InChIKey is LTYIEWACVBUPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2.C3H6O2/c7-4-1-2-6-3-5(4)8;1-2-5-3-4/h1-3,8H,(H,6,7);3H,2H2,1H3.
What are the key properties of ethyl formate;3-hydroxy-1H-pyridin-4-one?
ethyl formate;3-hydroxy-1H-pyridin-4-one has a molecular weight of 185.18 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl formate;3-hydroxy-1H-pyridin-4-one is sourced from PubChem (CID 174487569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).