4-(2-fluoro-4-iodoanilino)-5-methyl-6-oxo-1H-pyridine-3-carboxylic acid

C13H10FIN2O3 — CID 174235320

IUPAC4-(2-fluoro-4-iodoanilino)-5-methyl-6-oxo-1H-pyridine-3-carboxylic acid
SMILESCc1c(Nc2ccc(I)cc2F)c(C(=O)O)c[nH]c1=O
InChIInChI=1S/C13H10FIN2O3/c1-6-11(8(13(19)20)5-16-12(6)18)17-10-3-2-7(15)4-9(10)14/h2-5H,1H3,(H,19,20)(H2,16,17,18)
InChIKeyABQYXHOUVTUCDS-UHFFFAOYSA-N
MW388.14 g/mol
LogP2.87
Rot. Bonds3

About 4-(2-fluoro-4-iodoanilino)-5-methyl-6-oxo-1H-pyridine-3-carboxylic acid

4-(2-fluoro-4-iodoanilino)-5-methyl-6-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 174235320) has the molecular formula C13H10FIN2O3 and a molecular weight of 388.14 g/mol. Its IUPAC name is 4-(2-fluoro-4-iodoanilino)-5-methyl-6-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-fluoro-4-iodoanilino)-5-methyl-6-oxo-1H-pyridine-3-carboxylic acid
PubChem CID174235320
Molecular FormulaC13H10FIN2O3
Molecular Weight388.14 g/mol
Exact Mass387.97
IUPAC Name4-(2-fluoro-4-iodoanilino)-5-methyl-6-oxo-1H-pyridine-3-carboxylic acid
SMILESCc1c(Nc2ccc(I)cc2F)c(C(=O)O)c[nH]c1=O
InChIInChI=1S/C13H10FIN2O3/c1-6-11(8(13(19)20)5-16-12(6)18)17-10-3-2-7(15)4-9(10)14/h2-5H,1H3,(H,19,20)(H2,16,17,18)
InChIKeyABQYXHOUVTUCDS-UHFFFAOYSA-N
XLogP2.87
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.14
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-bromo-2-fluoroanilino)-5-(chloromethyl)-6-oxo-1H-pyridine-3-carboxylic acid
CID 90767040
(2,3,4,5,6-pentafluorophenyl) 3,4,5-trifluoro-2-(2-fluoro-4-iodoanilino)benzoate
CID 23398481
4-(5-amino-1,3,4-oxadiazol-2-yl)-3-(2-fluoro-4-iodoanilino)-1H-pyridin-2-one
CID 140520700
7-fluoro-6-(2-fluoro-4-iodoanilino)-3-methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 175247154
4-(2-fluoro-4-iodoanilino)-1,3,5-trimethylpyridin-2-one
CID 122606005
3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-methylbenzamide
CID 122438576
5-amino-6-(2-fluoro-4-iodoanilino)-4-methoxy-3-methyl-1H-pyridin-2-one
CID 68785672
2-fluoro-6-(2-fluoro-4-iodoanilino)benzoic acid
CID 169274158
3-fluoro-2-(2-fluoro-4-iodoanilino)-N-hydroxybenzamide
CID 150172306
3,4,6-trifluoro-2-(4-iodo-2-methylanilino)benzoic acid
CID 22226015
2-(2-fluoro-4-iodoanilino)-N-methoxy-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 59342492
3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-[(2-methylpropan-2-yl)oxy]benzamide
CID 167361757

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-iodoanilino)-5-methyl-6-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 4-(2-fluoro-4-iodoanilino)-5-methyl-6-oxo-1H-pyridine-3-carboxylic acid (CID 174235320) is 4-(2-fluoro-4-iodoanilino)-5-methyl-6-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(2-fluoro-4-iodoanilino)-5-methyl-6-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 4-(2-fluoro-4-iodoanilino)-5-methyl-6-oxo-1H-pyridine-3-carboxylic acid is Cc1c(Nc2ccc(I)cc2F)c(C(=O)O)c[nH]c1=O.
What is the InChIKey of 4-(2-fluoro-4-iodoanilino)-5-methyl-6-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is ABQYXHOUVTUCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FIN2O3/c1-6-11(8(13(19)20)5-16-12(6)18)17-10-3-2-7(15)4-9(10)14/h2-5H,1H3,(H,19,20)(H2,16,17,18).
What are the key properties of 4-(2-fluoro-4-iodoanilino)-5-methyl-6-oxo-1H-pyridine-3-carboxylic acid?
4-(2-fluoro-4-iodoanilino)-5-methyl-6-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 388.14 g/mol, XLogP of 2.87, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-iodoanilino)-5-methyl-6-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 174235320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).