4-hydroxy-3-iodo-6-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one

C11H14INO3 — CID 112757079

IUPAC4-hydroxy-3-iodo-6-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one
SMILESCc1cc(O)c(I)c(=O)n1CC1CCCO1
InChIInChI=1S/C11H14INO3/c1-7-5-9(14)10(12)11(15)13(7)6-8-3-2-4-16-8/h5,8,14H,2-4,6H2,1H3
InChIKeyYFOHZHIKETWTNZ-UHFFFAOYSA-N
MW335.14 g/mol
LogP1.65
Rot. Bonds2

About 4-hydroxy-3-iodo-6-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one

4-hydroxy-3-iodo-6-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one (PubChem CID 112757079) has the molecular formula C11H14INO3 and a molecular weight of 335.14 g/mol. Its IUPAC name is 4-hydroxy-3-iodo-6-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-iodo-6-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one
PubChem CID112757079
Molecular FormulaC11H14INO3
Molecular Weight335.14 g/mol
Exact Mass335.00
IUPAC Name4-hydroxy-3-iodo-6-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one
SMILESCc1cc(O)c(I)c(=O)n1CC1CCCO1
InChIInChI=1S/C11H14INO3/c1-7-5-9(14)10(12)11(15)13(7)6-8-3-2-4-16-8/h5,8,14H,2-4,6H2,1H3
InChIKeyYFOHZHIKETWTNZ-UHFFFAOYSA-N
XLogP1.65
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.14
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4,6-dimethyl-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 82466705
N-(4-acetamidophenyl)-4,6-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 91822604
4-chloro-6-methyl-3-nitro-1-[[(2R)-oxolan-2-yl]methyl]pyridin-2-one
CID 124853578
6-methyl-3-(methylaminomethyl)-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 82524714
4,6-dimethyl-1-(oxolan-2-ylmethyl)-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)pyridin-2-one
CID 82525591
3-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]-6-methyl-1-(oxolan-2-ylmethyl)pyridin-4-one
CID 82217634
4-(benzylamino)-6-methyl-1-[[(2S)-oxolan-2-yl]methyl]pyridin-2-one
CID 51568108
methyl 2-amino-3-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]propanoate
CID 170884417
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4,6-dimethyl-2-oxo-1-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 124859382
6-[[(2S)-oxolan-2-yl]methyl]benzo[d][2]benzazepine-5,7-dione
CID 714785
2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]acetonitrile
CID 116791254
cyclopentyl-[2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl]-dimethylazanium
CID 8875694

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-iodo-6-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one?
The IUPAC name of 4-hydroxy-3-iodo-6-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one (CID 112757079) is 4-hydroxy-3-iodo-6-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one.
What is the SMILES notation for 4-hydroxy-3-iodo-6-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one?
The canonical SMILES for 4-hydroxy-3-iodo-6-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one is Cc1cc(O)c(I)c(=O)n1CC1CCCO1.
What is the InChIKey of 4-hydroxy-3-iodo-6-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one?
The InChIKey is YFOHZHIKETWTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INO3/c1-7-5-9(14)10(12)11(15)13(7)6-8-3-2-4-16-8/h5,8,14H,2-4,6H2,1H3.
What are the key properties of 4-hydroxy-3-iodo-6-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one?
4-hydroxy-3-iodo-6-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one has a molecular weight of 335.14 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-iodo-6-methyl-1-(oxolan-2-ylmethyl)pyridin-2-one is sourced from PubChem (CID 112757079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).