5-iodo-4-methyl-1-(2-phenylethyl)pyridin-2-one

C14H14INO — CID 79784246

IUPAC5-iodo-4-methyl-1-(2-phenylethyl)pyridin-2-one
SMILESCc1cc(=O)n(CCc2ccccc2)cc1I
InChIInChI=1S/C14H14INO/c1-11-9-14(17)16(10-13(11)15)8-7-12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3
InChIKeyROGBAAHESKVQNC-UHFFFAOYSA-N
MW339.18 g/mol
LogP3.00
Rot. Bonds3

About 5-iodo-4-methyl-1-(2-phenylethyl)pyridin-2-one

5-iodo-4-methyl-1-(2-phenylethyl)pyridin-2-one (PubChem CID 79784246) has the molecular formula C14H14INO and a molecular weight of 339.18 g/mol. Its IUPAC name is 5-iodo-4-methyl-1-(2-phenylethyl)pyridin-2-one.

Molecular Properties

Compound Name5-iodo-4-methyl-1-(2-phenylethyl)pyridin-2-one
PubChem CID79784246
Molecular FormulaC14H14INO
Molecular Weight339.18 g/mol
Exact Mass339.01
IUPAC Name5-iodo-4-methyl-1-(2-phenylethyl)pyridin-2-one
SMILESCc1cc(=O)n(CCc2ccccc2)cc1I
InChIInChI=1S/C14H14INO/c1-11-9-14(17)16(10-13(11)15)8-7-12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3
InChIKeyROGBAAHESKVQNC-UHFFFAOYSA-N
XLogP3.00
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-methyl-1-(2-phenylethyl)pyridin-2-one?
The IUPAC name of 5-iodo-4-methyl-1-(2-phenylethyl)pyridin-2-one (CID 79784246) is 5-iodo-4-methyl-1-(2-phenylethyl)pyridin-2-one.
What is the SMILES notation for 5-iodo-4-methyl-1-(2-phenylethyl)pyridin-2-one?
The canonical SMILES for 5-iodo-4-methyl-1-(2-phenylethyl)pyridin-2-one is Cc1cc(=O)n(CCc2ccccc2)cc1I.
What is the InChIKey of 5-iodo-4-methyl-1-(2-phenylethyl)pyridin-2-one?
The InChIKey is ROGBAAHESKVQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14INO/c1-11-9-14(17)16(10-13(11)15)8-7-12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3.
What are the key properties of 5-iodo-4-methyl-1-(2-phenylethyl)pyridin-2-one?
5-iodo-4-methyl-1-(2-phenylethyl)pyridin-2-one has a molecular weight of 339.18 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-methyl-1-(2-phenylethyl)pyridin-2-one is sourced from PubChem (CID 79784246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).