1-benzyl-5-iodo-4-oxopyridine-3-carboxylic acid

C13H10INO3 — CID 151440312

IUPAC1-benzyl-5-iodo-4-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccccc2)cc(I)c1=O
InChIInChI=1S/C13H10INO3/c14-11-8-15(6-9-4-2-1-3-5-9)7-10(12(11)16)13(17)18/h1-5,7-8H,6H2,(H,17,18)
InChIKeyPEJJWUBKPNGUOV-UHFFFAOYSA-N
MW355.13 g/mol
LogP2.20
Rot. Bonds3

About 1-benzyl-5-iodo-4-oxopyridine-3-carboxylic acid

1-benzyl-5-iodo-4-oxopyridine-3-carboxylic acid (PubChem CID 151440312) has the molecular formula C13H10INO3 and a molecular weight of 355.13 g/mol. Its IUPAC name is 1-benzyl-5-iodo-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-benzyl-5-iodo-4-oxopyridine-3-carboxylic acid
PubChem CID151440312
Molecular FormulaC13H10INO3
Molecular Weight355.13 g/mol
Exact Mass354.97
IUPAC Name1-benzyl-5-iodo-4-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1cn(Cc2ccccc2)cc(I)c1=O
InChIInChI=1S/C13H10INO3/c14-11-8-15(6-9-4-2-1-3-5-9)7-10(12(11)16)13(17)18/h1-5,7-8H,6H2,(H,17,18)
InChIKeyPEJJWUBKPNGUOV-UHFFFAOYSA-N
XLogP2.20
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.13
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-benzyl-5-iodo-4-oxopyridine-3-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

5-bromo-1-[(4-cyanophenyl)methyl]-4-oxopyridine-3-carboxylic acid
CID 86711541
1-benzyl-2,4-dioxopyrimidine-5-carboxylic acid
CID 79014884
1-benzyl-5-fluoro-4-oxoquinoline-3-carboxylic acid
CID 46225414
1-benzyl-6-cyano-4-oxopyridine-3-carboxylic acid
CID 70608832
1-benzyl-5-chloro-2-oxopyridine-3-carboxylic acid
CID 2764352
1-ethyl-4-oxo-5-phenylpyridine-3-carboxylic acid
CID 12624227
2,5-dibenzylpyrrolo[3,4-c]pyrrole-4,6-dione
CID 12958495
2-benzyl-3-oxopyridazine-4-carboxylic acid
CID 97181365
CID 89305707
CID 89305707
(1-benzylpyrrol-3-yl)-phenylmethanone
CID 134907398
1-(fluoromethoxy)-4-oxoquinoline-3-carboxylic acid
CID 91240711
6-benzyl-2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridine-3-carboxylic acid
CID 15282143

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-iodo-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-benzyl-5-iodo-4-oxopyridine-3-carboxylic acid (CID 151440312) is 1-benzyl-5-iodo-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-benzyl-5-iodo-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-benzyl-5-iodo-4-oxopyridine-3-carboxylic acid is O=C(O)c1cn(Cc2ccccc2)cc(I)c1=O.
What is the InChIKey of 1-benzyl-5-iodo-4-oxopyridine-3-carboxylic acid?
The InChIKey is PEJJWUBKPNGUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10INO3/c14-11-8-15(6-9-4-2-1-3-5-9)7-10(12(11)16)13(17)18/h1-5,7-8H,6H2,(H,17,18).
What are the key properties of 1-benzyl-5-iodo-4-oxopyridine-3-carboxylic acid?
1-benzyl-5-iodo-4-oxopyridine-3-carboxylic acid has a molecular weight of 355.13 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-iodo-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 151440312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).