5-iodo-6-(trifluoromethyl)pyridine-2-carboxylic acid

C7H3F3INO2 — CID 130851869

IUPAC5-iodo-6-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(I)c(C(F)(F)F)n1
InChIInChI=1S/C7H3F3INO2/c8-7(9,10)5-3(11)1-2-4(12-5)6(13)14/h1-2H,(H,13,14)
InChIKeyDCFXHPBEPMQHFJ-UHFFFAOYSA-N
MW317.00 g/mol
LogP2.40
Rot. Bonds1

About 5-iodo-6-(trifluoromethyl)pyridine-2-carboxylic acid

5-iodo-6-(trifluoromethyl)pyridine-2-carboxylic acid (PubChem CID 130851869) has the molecular formula C7H3F3INO2 and a molecular weight of 317.00 g/mol. Its IUPAC name is 5-iodo-6-(trifluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-iodo-6-(trifluoromethyl)pyridine-2-carboxylic acid
PubChem CID130851869
Molecular FormulaC7H3F3INO2
Molecular Weight317.00 g/mol
Exact Mass316.92
IUPAC Name5-iodo-6-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(I)c(C(F)(F)F)n1
InChIInChI=1S/C7H3F3INO2/c8-7(9,10)5-3(11)1-2-4(12-5)6(13)14/h1-2H,(H,13,14)
InChIKeyDCFXHPBEPMQHFJ-UHFFFAOYSA-N
XLogP2.40
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.00
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-iodo-6-(trifluoromethyl)pyridine-2-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

methyl 5-iodo-6-(trifluoromethyl)pyridine-2-carboxylate
CID 131297984
5-amino-6-(trifluoromethyl)pyridine-2-carboxylic acid
CID 82610184
5-phenyl-6-(trifluoromethyl)pyridine-2-carboxylic acid
CID 133096218
6-(fluoromethyl)-3-iodo-2-(trifluoromethyl)pyridine
CID 130952875
5-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylic acid
CID 134675155
3-(difluoromethyl)-5-iodo-6-(trifluoromethyl)pyridine-2-carboxylic acid
CID 133100358
7-iodoquinoline-2-carboxylic acid
CID 119086175
ethyl 2-[5-iodo-6-(trifluoromethyl)-2-pyridinyl]acetate
CID 133096647
5-bromo-8-iodoquinoline-2-carboxylic acid
CID 127018840
6-fluoro-5-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 133089695
2-iodo-1H-pyrrolo[2,3-b]pyridine-6-carboxylic acid
CID 126970326
6-(2,2,2-trifluoroacetyl)pyridine-2-carboxylic acid
CID 131581629

Frequently Asked Questions

What is the IUPAC name of 5-iodo-6-(trifluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-iodo-6-(trifluoromethyl)pyridine-2-carboxylic acid (CID 130851869) is 5-iodo-6-(trifluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-iodo-6-(trifluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-iodo-6-(trifluoromethyl)pyridine-2-carboxylic acid is O=C(O)c1ccc(I)c(C(F)(F)F)n1.
What is the InChIKey of 5-iodo-6-(trifluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is DCFXHPBEPMQHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3INO2/c8-7(9,10)5-3(11)1-2-4(12-5)6(13)14/h1-2H,(H,13,14).
What are the key properties of 5-iodo-6-(trifluoromethyl)pyridine-2-carboxylic acid?
5-iodo-6-(trifluoromethyl)pyridine-2-carboxylic acid has a molecular weight of 317.00 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-(trifluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 130851869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).