1-[2-(hydroxymethyl)-1H-pyridin-2-yl]ethanone

C8H11NO2 — CID 174946591

IUPAC1-[2-(hydroxymethyl)-1H-pyridin-2-yl]ethanone
SMILESCC(=O)C1(CO)C=CC=CN1
InChIInChI=1S/C8H11NO2/c1-7(11)8(6-10)4-2-3-5-9-8/h2-5,9-10H,6H2,1H3
InChIKeyWKGJDHYTACZKDG-UHFFFAOYSA-N
MW153.18 g/mol
LogP-0.02
Rot. Bonds2

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

1-[2-(hydroxymethyl)-1H-pyridin-2-yl]ethanone (PubChem CID 174946591) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-1H-pyridin-2-yl]ethanone.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-1H-pyridin-2-yl]ethanone
PubChem CID174946591
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name1-[2-(hydroxymethyl)-1H-pyridin-2-yl]ethanone
SMILESCC(=O)C1(CO)C=CC=CN1
InChIInChI=1S/C8H11NO2/c1-7(11)8(6-10)4-2-3-5-9-8/h2-5,9-10H,6H2,1H3
InChIKeyWKGJDHYTACZKDG-UHFFFAOYSA-N
XLogP-0.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1H-pyridine-2-carbonyl chloride
CID 87872772
2-chloro-N-methyl-1H-pyridine-2-carboxamide
CID 151398196
1-(1-acetylcyclopenta-2,4-dien-1-yl)ethanone
CID 15072307
CID 175978727
CID 175978727
ethyl 2-methyl-1H-pyridine-2-carboxylate
CID 21219562
1-[1-(hydroxymethyl)cyclohexa-2,4-dien-1-yl]ethanone
CID 141023556
(2R)-2-(2-chloro-1H-pyridin-2-yl)propanamide
CID 150457306
[(2S)-2-pyrrolidin-1-yl-1H-pyridin-2-yl]methanol
CID 67605567
2-methyl-1H-pyridine-2-thiol
CID 152759120
methyl 2-aminoacetate;2-phenyl-1H-pyridine-2-carboxamide
CID 174829110
ethyl 3-(2-bromo-1H-pyridin-2-yl)-2,2-dimethylpropanoate
CID 135389703
benzene;1-hydroxypropan-2-one
CID 160632578

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-1H-pyridin-2-yl]ethanone?
The IUPAC name of 1-[2-(hydroxymethyl)-1H-pyridin-2-yl]ethanone (CID 174946591) is 1-[2-(hydroxymethyl)-1H-pyridin-2-yl]ethanone.
What is the SMILES notation for 1-[2-(hydroxymethyl)-1H-pyridin-2-yl]ethanone?
The canonical SMILES for 1-[2-(hydroxymethyl)-1H-pyridin-2-yl]ethanone is CC(=O)C1(CO)C=CC=CN1.
What is the InChIKey of 1-[2-(hydroxymethyl)-1H-pyridin-2-yl]ethanone?
The InChIKey is WKGJDHYTACZKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-7(11)8(6-10)4-2-3-5-9-8/h2-5,9-10H,6H2,1H3.
What are the key properties of 1-[2-(hydroxymethyl)-1H-pyridin-2-yl]ethanone?
1-[2-(hydroxymethyl)-1H-pyridin-2-yl]ethanone has a molecular weight of 153.18 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-1H-pyridin-2-yl]ethanone is sourced from PubChem (CID 174946591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).