4-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxylic acid

C13H10FIN2O3 — CID 11234608

IUPAC4-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxylic acid
SMILESCn1cc(C(=O)O)c(Nc2ccc(I)cc2F)cc1=O
InChIInChI=1S/C13H10FIN2O3/c1-17-6-8(13(19)20)11(5-12(17)18)16-10-3-2-7(15)4-9(10)14/h2-6,16H,1H3,(H,19,20)
InChIKeyDSKCFNMBWKCOQW-UHFFFAOYSA-N
MW388.14 g/mol
LogP2.57
Rot. Bonds3

About 4-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxylic acid

4-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxylic acid (PubChem CID 11234608) has the molecular formula C13H10FIN2O3 and a molecular weight of 388.14 g/mol. Its IUPAC name is 4-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxylic acid
PubChem CID11234608
Molecular FormulaC13H10FIN2O3
Molecular Weight388.14 g/mol
Exact Mass387.97
IUPAC Name4-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxylic acid
SMILESCn1cc(C(=O)O)c(Nc2ccc(I)cc2F)cc1=O
InChIInChI=1S/C13H10FIN2O3/c1-17-6-8(13(19)20)11(5-12(17)18)16-10-3-2-7(15)4-9(10)14/h2-6,16H,1H3,(H,19,20)
InChIKeyDSKCFNMBWKCOQW-UHFFFAOYSA-N
XLogP2.57
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.14
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 4-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxylic acid (CID 11234608) is 4-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 4-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 4-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxylic acid is Cn1cc(C(=O)O)c(Nc2ccc(I)cc2F)cc1=O.
What is the InChIKey of 4-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxylic acid?
The InChIKey is DSKCFNMBWKCOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FIN2O3/c1-17-6-8(13(19)20)11(5-12(17)18)16-10-3-2-7(15)4-9(10)14/h2-6,16H,1H3,(H,19,20).
What are the key properties of 4-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxylic acid?
4-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxylic acid has a molecular weight of 388.14 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-iodoanilino)-1-methyl-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 11234608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).