3-(1-hydroxyethyl)-1H-pyridin-4-one

C7H9NO2 — CID 133059254

IUPAC3-(1-hydroxyethyl)-1H-pyridin-4-one
SMILESCC(O)c1c[nH]ccc1=O
InChIInChI=1S/C7H9NO2/c1-5(9)6-4-8-3-2-7(6)10/h2-5,9H,1H3,(H,8,10)
InChIKeyKILPNSMBUNWDMT-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.43
Rot. Bonds1

About 3-(1-hydroxyethyl)-1H-pyridin-4-one

3-(1-hydroxyethyl)-1H-pyridin-4-one (PubChem CID 133059254) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 3-(1-hydroxyethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-(1-hydroxyethyl)-1H-pyridin-4-one
PubChem CID133059254
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name3-(1-hydroxyethyl)-1H-pyridin-4-one
SMILESCC(O)c1c[nH]ccc1=O
InChIInChI=1S/C7H9NO2/c1-5(9)6-4-8-3-2-7(6)10/h2-5,9H,1H3,(H,8,10)
InChIKeyKILPNSMBUNWDMT-UHFFFAOYSA-N
XLogP0.43
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxyethyl)-1H-pyridin-4-one?
The IUPAC name of 3-(1-hydroxyethyl)-1H-pyridin-4-one (CID 133059254) is 3-(1-hydroxyethyl)-1H-pyridin-4-one.
What is the SMILES notation for 3-(1-hydroxyethyl)-1H-pyridin-4-one?
The canonical SMILES for 3-(1-hydroxyethyl)-1H-pyridin-4-one is CC(O)c1c[nH]ccc1=O.
What is the InChIKey of 3-(1-hydroxyethyl)-1H-pyridin-4-one?
The InChIKey is KILPNSMBUNWDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-5(9)6-4-8-3-2-7(6)10/h2-5,9H,1H3,(H,8,10).
What are the key properties of 3-(1-hydroxyethyl)-1H-pyridin-4-one?
3-(1-hydroxyethyl)-1H-pyridin-4-one has a molecular weight of 139.15 g/mol, XLogP of 0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxyethyl)-1H-pyridin-4-one is sourced from PubChem (CID 133059254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).