4-(difluoromethyl)-5-iodo-6-(trifluoromethyl)pyridine-3-carboxylic acid

C8H3F5INO2 — CID 118817666

IUPAC4-(difluoromethyl)-5-iodo-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(C(F)(F)F)c(I)c1C(F)F
InChIInChI=1S/C8H3F5INO2/c9-6(10)3-2(7(16)17)1-15-5(4(3)14)8(11,12)13/h1,6H,(H,16,17)
InChIKeyISNGGUGHTMGHDC-UHFFFAOYSA-N
MW367.01 g/mol
LogP3.34
Rot. Bonds2

About 4-(difluoromethyl)-5-iodo-6-(trifluoromethyl)pyridine-3-carboxylic acid

4-(difluoromethyl)-5-iodo-6-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 118817666) has the molecular formula C8H3F5INO2 and a molecular weight of 367.01 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-iodo-6-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethyl)-5-iodo-6-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID118817666
Molecular FormulaC8H3F5INO2
Molecular Weight367.01 g/mol
Exact Mass366.91
IUPAC Name4-(difluoromethyl)-5-iodo-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(C(F)(F)F)c(I)c1C(F)F
InChIInChI=1S/C8H3F5INO2/c9-6(10)3-2(7(16)17)1-15-5(4(3)14)8(11,12)13/h1,6H,(H,16,17)
InChIKeyISNGGUGHTMGHDC-UHFFFAOYSA-N
XLogP3.34
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.01
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(difluoromethyl)-5-iodo-6-(trifluoromethyl)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-(difluoromethyl)-5-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118829655
3-(difluoromethyl)-6-iodo-2-(trifluoromethyl)pyridine-4-carboxylic acid
CID 133100823
4-(difluoromethyl)-6-iodo-5-methylpyridine-3-carboxylic acid
CID 118835162
6-amino-4-(difluoromethyl)-5-methylpyridine-3-carboxylic acid
CID 118995761
methyl 4-(difluoromethyl)-5-fluoro-6-(trifluoromethyl)pyridine-3-carboxylate
CID 133103913
6-(difluoromethyl)-4-iodo-5-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118803856
methyl 4-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-3-carboxylate
CID 133101747
4-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118852185
4-(difluoromethyl)-5-fluoro-6-methylpyridine-3-carboxylic acid
CID 118828922
6-amino-5-(difluoromethyl)-4-fluoropyridine-3-carboxylic acid
CID 119006652
4-amino-2-(trifluoromethyl)pyridine-3,5-dicarboxylic acid
CID 67931571
2-[4-(difluoromethyl)-5-fluoro-6-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118823250

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-iodo-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 4-(difluoromethyl)-5-iodo-6-(trifluoromethyl)pyridine-3-carboxylic acid (CID 118817666) is 4-(difluoromethyl)-5-iodo-6-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(difluoromethyl)-5-iodo-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(difluoromethyl)-5-iodo-6-(trifluoromethyl)pyridine-3-carboxylic acid is O=C(O)c1cnc(C(F)(F)F)c(I)c1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-5-iodo-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is ISNGGUGHTMGHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F5INO2/c9-6(10)3-2(7(16)17)1-15-5(4(3)14)8(11,12)13/h1,6H,(H,16,17).
What are the key properties of 4-(difluoromethyl)-5-iodo-6-(trifluoromethyl)pyridine-3-carboxylic acid?
4-(difluoromethyl)-5-iodo-6-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 367.01 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-iodo-6-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 118817666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).