3-iodo-1,4,6-trimethylpyridin-2-one

C8H10INO — CID 20812486

IUPAC3-iodo-1,4,6-trimethylpyridin-2-one
SMILESCc1cc(C)n(C)c(=O)c1I
InChIInChI=1S/C8H10INO/c1-5-4-6(2)10(3)8(11)7(5)9/h4H,1-3H3
InChIKeyQDMGDNGJKOCTIR-UHFFFAOYSA-N
MW263.08 g/mol
LogP1.61
Rot. Bonds

About 3-iodo-1,4,6-trimethylpyridin-2-one

3-iodo-1,4,6-trimethylpyridin-2-one (PubChem CID 20812486) has the molecular formula C8H10INO and a molecular weight of 263.08 g/mol. Its IUPAC name is 3-iodo-1,4,6-trimethylpyridin-2-one.

Molecular Properties

Compound Name3-iodo-1,4,6-trimethylpyridin-2-one
PubChem CID20812486
Molecular FormulaC8H10INO
Molecular Weight263.08 g/mol
Exact Mass262.98
IUPAC Name3-iodo-1,4,6-trimethylpyridin-2-one
SMILESCc1cc(C)n(C)c(=O)c1I
InChIInChI=1S/C8H10INO/c1-5-4-6(2)10(3)8(11)7(5)9/h4H,1-3H3
InChIKeyQDMGDNGJKOCTIR-UHFFFAOYSA-N
XLogP1.61
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.08
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4,6-trimethyl-3-(sulfanylmethyl)pyridin-2-one
CID 82526280
N,N,1,4,6-pentamethyl-2-oxopyridine-3-carboxamide
CID 23741260
3-(1,4,6-trimethyl-2-oxo-3-pyridinyl)propanoic acid
CID 82526228
1,4,6-trimethyl-3-[(propan-2-ylamino)methyl]pyridin-2-one
CID 82526295
6-amino-5-iodo-3-methyl-1H-pyrimidine-2,4-dione;6-amino-3-methyl-1H-pyrimidine-2,4-dione
CID 174242964
N-(2,6-dimethylphenyl)-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
CID 110857573
2,3-dimethylisoquinolin-1-one;ethane
CID 91490725
5-fluoro-1,4,6-trimethyl-2-oxopyridine-3-carbonitrile;1,4,6-trimethyl-2-oxopyridine-3-carbonitrile
CID 158037580
5-hydroxy-2,3-dimethylisoquinolin-1-one
CID 115063617
3-chloro-1,6-dimethyl-4-(trifluoromethyl)pyridin-2-one
CID 164772432
6,7-dimethoxy-2,3-dimethylisoquinolin-1-one
CID 5257820
3-amino-1,6-dimethyl-2-oxopyridine-4-carboxylic acid
CID 172592775

Frequently Asked Questions

What is the IUPAC name of 3-iodo-1,4,6-trimethylpyridin-2-one?
The IUPAC name of 3-iodo-1,4,6-trimethylpyridin-2-one (CID 20812486) is 3-iodo-1,4,6-trimethylpyridin-2-one.
What is the SMILES notation for 3-iodo-1,4,6-trimethylpyridin-2-one?
The canonical SMILES for 3-iodo-1,4,6-trimethylpyridin-2-one is Cc1cc(C)n(C)c(=O)c1I.
What is the InChIKey of 3-iodo-1,4,6-trimethylpyridin-2-one?
The InChIKey is QDMGDNGJKOCTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10INO/c1-5-4-6(2)10(3)8(11)7(5)9/h4H,1-3H3.
What are the key properties of 3-iodo-1,4,6-trimethylpyridin-2-one?
3-iodo-1,4,6-trimethylpyridin-2-one has a molecular weight of 263.08 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1,4,6-trimethylpyridin-2-one is sourced from PubChem (CID 20812486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).