1-(4-iodobutyl)-5-methylpyridin-2-one

C10H14INO — CID 171061446

IUPAC1-(4-iodobutyl)-5-methylpyridin-2-one
SMILESCc1ccc(=O)n(CCCCI)c1
InChIInChI=1S/C10H14INO/c1-9-4-5-10(13)12(8-9)7-3-2-6-11/h4-5,8H,2-3,6-7H2,1H3
InChIKeyXYYUIUSMPXKVBF-UHFFFAOYSA-N
MW291.13 g/mol
LogP2.37
Rot. Bonds4

About 1-(4-iodobutyl)-5-methylpyridin-2-one

1-(4-iodobutyl)-5-methylpyridin-2-one (PubChem CID 171061446) has the molecular formula C10H14INO and a molecular weight of 291.13 g/mol. Its IUPAC name is 1-(4-iodobutyl)-5-methylpyridin-2-one.

Molecular Properties

Compound Name1-(4-iodobutyl)-5-methylpyridin-2-one
PubChem CID171061446
Molecular FormulaC10H14INO
Molecular Weight291.13 g/mol
Exact Mass291.01
IUPAC Name1-(4-iodobutyl)-5-methylpyridin-2-one
SMILESCc1ccc(=O)n(CCCCI)c1
InChIInChI=1S/C10H14INO/c1-9-4-5-10(13)12(8-9)7-3-2-6-11/h4-5,8H,2-3,6-7H2,1H3
InChIKeyXYYUIUSMPXKVBF-UHFFFAOYSA-N
XLogP2.37
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.13
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-iodobutyl)-5-methylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodobutyl)-5-methylpyridin-2-one?
The IUPAC name of 1-(4-iodobutyl)-5-methylpyridin-2-one (CID 171061446) is 1-(4-iodobutyl)-5-methylpyridin-2-one.
What is the SMILES notation for 1-(4-iodobutyl)-5-methylpyridin-2-one?
The canonical SMILES for 1-(4-iodobutyl)-5-methylpyridin-2-one is Cc1ccc(=O)n(CCCCI)c1.
What is the InChIKey of 1-(4-iodobutyl)-5-methylpyridin-2-one?
The InChIKey is XYYUIUSMPXKVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14INO/c1-9-4-5-10(13)12(8-9)7-3-2-6-11/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 1-(4-iodobutyl)-5-methylpyridin-2-one?
1-(4-iodobutyl)-5-methylpyridin-2-one has a molecular weight of 291.13 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodobutyl)-5-methylpyridin-2-one is sourced from PubChem (CID 171061446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).