3-[(1S)-1-hydroxyethyl]-6-pyridin-2-yl-1H-pyridin-2-one

C12H12N2O2 — CID 129448586

IUPAC3-[(1S)-1-hydroxyethyl]-6-pyridin-2-yl-1H-pyridin-2-one
SMILESC[C@H](O)c1ccc(-c2ccccn2)[nH]c1=O
InChIInChI=1S/C12H12N2O2/c1-8(15)9-5-6-11(14-12(9)16)10-4-2-3-7-13-10/h2-8,15H,1H3,(H,14,16)/t8-/m0/s1
InChIKeyVYFKXRGATVQQNC-QMMMGPOBSA-N
MW216.24 g/mol
LogP1.49
Rot. Bonds2

About 3-[(1S)-1-hydroxyethyl]-6-pyridin-2-yl-1H-pyridin-2-one

3-[(1S)-1-hydroxyethyl]-6-pyridin-2-yl-1H-pyridin-2-one (PubChem CID 129448586) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-[(1S)-1-hydroxyethyl]-6-pyridin-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(1S)-1-hydroxyethyl]-6-pyridin-2-yl-1H-pyridin-2-one
PubChem CID129448586
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name3-[(1S)-1-hydroxyethyl]-6-pyridin-2-yl-1H-pyridin-2-one
SMILESC[C@H](O)c1ccc(-c2ccccn2)[nH]c1=O
InChIInChI=1S/C12H12N2O2/c1-8(15)9-5-6-11(14-12(9)16)10-4-2-3-7-13-10/h2-8,15H,1H3,(H,14,16)/t8-/m0/s1
InChIKeyVYFKXRGATVQQNC-QMMMGPOBSA-N
XLogP1.49
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-pyridin-2-yl-1H-pyrrol-2-yl)pyridine;hydrochloride
CID 172801598
(2R)-4-methyl-2-[(2-oxo-6-pyridin-2-yl-1H-pyridine-3-carbonyl)amino]pentanoic acid
CID 119363027
N-[2-(methylamino)propyl]-2-oxo-6-pyridin-2-yl-1H-pyridine-3-carboxamide
CID 120829946
3-pyridin-2-yl-6-(5-pyridin-2-yl-1H-pyrrol-2-yl)pyridazine
CID 59140943
3-(4-methoxyphenyl)-6-pyridin-2-yl-1H-pyridin-2-one
CID 139267080
3-[(2R)-2-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-6-pyridin-2-yl-1H-pyridin-2-one
CID 125152328
3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-6-pyridin-2-yl-1H-pyridin-2-one
CID 137096097
6-pyridin-2-yl-4-sulfanylidene-1H-pyrimidin-2-one
CID 121206451
2-[2,6-di(propan-2-yl)phenyl]pyridine
CID 141394538
4-hydroxy-5-propan-2-yl-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 63612290
4-methoxy-6-pyridin-2-yl-1H-pyridin-2-one
CID 121218166
2,6-dimethyl-3-pyridin-2-yl-1H-pyridin-4-one
CID 18946451

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-hydroxyethyl]-6-pyridin-2-yl-1H-pyridin-2-one?
The IUPAC name of 3-[(1S)-1-hydroxyethyl]-6-pyridin-2-yl-1H-pyridin-2-one (CID 129448586) is 3-[(1S)-1-hydroxyethyl]-6-pyridin-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-[(1S)-1-hydroxyethyl]-6-pyridin-2-yl-1H-pyridin-2-one?
The canonical SMILES for 3-[(1S)-1-hydroxyethyl]-6-pyridin-2-yl-1H-pyridin-2-one is C[C@H](O)c1ccc(-c2ccccn2)[nH]c1=O.
What is the InChIKey of 3-[(1S)-1-hydroxyethyl]-6-pyridin-2-yl-1H-pyridin-2-one?
The InChIKey is VYFKXRGATVQQNC-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-8(15)9-5-6-11(14-12(9)16)10-4-2-3-7-13-10/h2-8,15H,1H3,(H,14,16)/t8-/m0/s1.
What are the key properties of 3-[(1S)-1-hydroxyethyl]-6-pyridin-2-yl-1H-pyridin-2-one?
3-[(1S)-1-hydroxyethyl]-6-pyridin-2-yl-1H-pyridin-2-one has a molecular weight of 216.24 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-hydroxyethyl]-6-pyridin-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 129448586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).