4-iodo-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid

C7H3F3INO4 — CID 130111539

IUPAC4-iodo-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c(I)c(OC(F)(F)F)c[nH]c1=O
InChIInChI=1S/C7H3F3INO4/c8-7(9,10)16-2-1-12-5(13)3(4(2)11)6(14)15/h1H,(H,12,13)(H,14,15)
InChIKeyNFICNOKRCPVNFB-UHFFFAOYSA-N
MW349.00 g/mol
LogP1.58
Rot. Bonds2

About 4-iodo-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid

4-iodo-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid (PubChem CID 130111539) has the molecular formula C7H3F3INO4 and a molecular weight of 349.00 g/mol. Its IUPAC name is 4-iodo-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-iodo-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid
PubChem CID130111539
Molecular FormulaC7H3F3INO4
Molecular Weight349.00 g/mol
Exact Mass348.91
IUPAC Name4-iodo-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c(I)c(OC(F)(F)F)c[nH]c1=O
InChIInChI=1S/C7H3F3INO4/c8-7(9,10)16-2-1-12-5(13)3(4(2)11)6(14)15/h1H,(H,12,13)(H,14,15)
InChIKeyNFICNOKRCPVNFB-UHFFFAOYSA-N
XLogP1.58
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.00
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-iodo-2-oxo-5-(trifluoromethoxy)-1H-pyridine-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

4-(bromomethyl)-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid
CID 134662109
4-nitro-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid
CID 134679265
2-[3-(aminomethyl)-2-oxo-5-(trifluoromethoxy)-1H-pyridin-4-yl]acetic acid
CID 134681343
methyl 4-(chloromethyl)-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylate
CID 134667066
5-(bromomethyl)-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carboxylic acid
CID 134666729
3-iodo-2-methyl-5-(trifluoromethoxy)-1H-pyridin-4-one
CID 130111102
3-(bromomethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridine-2-carboxylic acid
CID 134666722
5-fluoro-3-iodo-4-(trifluoromethoxy)-1H-pyridin-2-one
CID 131115667
2-iodo-3-methyl-5-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 130113015
2-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 134666372
2-oxo-5-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridine-4-carbaldehyde
CID 134666235
2-amino-3-(aminomethyl)-5-(trifluoromethoxy)-1H-pyridin-4-one
CID 119023237

Frequently Asked Questions

What is the IUPAC name of 4-iodo-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid?
The IUPAC name of 4-iodo-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid (CID 130111539) is 4-iodo-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 4-iodo-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 4-iodo-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid is O=C(O)c1c(I)c(OC(F)(F)F)c[nH]c1=O.
What is the InChIKey of 4-iodo-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid?
The InChIKey is NFICNOKRCPVNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3INO4/c8-7(9,10)16-2-1-12-5(13)3(4(2)11)6(14)15/h1H,(H,12,13)(H,14,15).
What are the key properties of 4-iodo-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid?
4-iodo-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid has a molecular weight of 349.00 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 130111539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).