1-[1-(2-hydroxyethyl)-2H-pyridin-4-yl]ethanone

C9H13NO2 — CID 141282741

IUPAC1-[1-(2-hydroxyethyl)-2H-pyridin-4-yl]ethanone
SMILESCC(=O)C1=CCN(CCO)C=C1
InChIInChI=1S/C9H13NO2/c1-8(12)9-2-4-10(5-3-9)6-7-11/h2-4,11H,5-7H2,1H3
InChIKeyBBHVOFBJYDHAPV-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.32
Rot. Bonds3

About 1-[1-(2-hydroxyethyl)-2H-pyridin-4-yl]ethanone

1-[1-(2-hydroxyethyl)-2H-pyridin-4-yl]ethanone (PubChem CID 141282741) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-[1-(2-hydroxyethyl)-2H-pyridin-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-(2-hydroxyethyl)-2H-pyridin-4-yl]ethanone
PubChem CID141282741
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name1-[1-(2-hydroxyethyl)-2H-pyridin-4-yl]ethanone
SMILESCC(=O)C1=CCN(CCO)C=C1
InChIInChI=1S/C9H13NO2/c1-8(12)9-2-4-10(5-3-9)6-7-11/h2-4,11H,5-7H2,1H3
InChIKeyBBHVOFBJYDHAPV-UHFFFAOYSA-N
XLogP0.32
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-hydroxyethyl)-2H-pyridin-4-yl]ethanone?
The IUPAC name of 1-[1-(2-hydroxyethyl)-2H-pyridin-4-yl]ethanone (CID 141282741) is 1-[1-(2-hydroxyethyl)-2H-pyridin-4-yl]ethanone.
What is the SMILES notation for 1-[1-(2-hydroxyethyl)-2H-pyridin-4-yl]ethanone?
The canonical SMILES for 1-[1-(2-hydroxyethyl)-2H-pyridin-4-yl]ethanone is CC(=O)C1=CCN(CCO)C=C1.
What is the InChIKey of 1-[1-(2-hydroxyethyl)-2H-pyridin-4-yl]ethanone?
The InChIKey is BBHVOFBJYDHAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-8(12)9-2-4-10(5-3-9)6-7-11/h2-4,11H,5-7H2,1H3.
What are the key properties of 1-[1-(2-hydroxyethyl)-2H-pyridin-4-yl]ethanone?
1-[1-(2-hydroxyethyl)-2H-pyridin-4-yl]ethanone has a molecular weight of 167.21 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-hydroxyethyl)-2H-pyridin-4-yl]ethanone is sourced from PubChem (CID 141282741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).