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

C7H3F3INO2 — CID 130981842

IUPAC3-iodo-5-(trifluoromethyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1c(I)cncc1C(F)(F)F
InChIInChI=1S/C7H3F3INO2/c8-7(9,10)3-1-12-2-4(11)5(3)6(13)14/h1-2H,(H,13,14)
InChIKeyCUQLGZPIXYCFHV-UHFFFAOYSA-N
MW317.00 g/mol
LogP2.40
Rot. Bonds1

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

3-iodo-5-(trifluoromethyl)pyridine-4-carboxylic acid (PubChem CID 130981842) has the molecular formula C7H3F3INO2 and a molecular weight of 317.00 g/mol. Its IUPAC name is 3-iodo-5-(trifluoromethyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-iodo-5-(trifluoromethyl)pyridine-4-carboxylic acid
PubChem CID130981842
Molecular FormulaC7H3F3INO2
Molecular Weight317.00 g/mol
Exact Mass316.92
IUPAC Name3-iodo-5-(trifluoromethyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1c(I)cncc1C(F)(F)F
InChIInChI=1S/C7H3F3INO2/c8-7(9,10)3-1-12-2-4(11)5(3)6(13)14/h1-2H,(H,13,14)
InChIKeyCUQLGZPIXYCFHV-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'}

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-5-(trifluoromethyl)pyridine-4-carboxylic acid?
The IUPAC name of 3-iodo-5-(trifluoromethyl)pyridine-4-carboxylic acid (CID 130981842) is 3-iodo-5-(trifluoromethyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-iodo-5-(trifluoromethyl)pyridine-4-carboxylic acid?
The canonical SMILES for 3-iodo-5-(trifluoromethyl)pyridine-4-carboxylic acid is O=C(O)c1c(I)cncc1C(F)(F)F.
What is the InChIKey of 3-iodo-5-(trifluoromethyl)pyridine-4-carboxylic acid?
The InChIKey is CUQLGZPIXYCFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3INO2/c8-7(9,10)3-1-12-2-4(11)5(3)6(13)14/h1-2H,(H,13,14).
What are the key properties of 3-iodo-5-(trifluoromethyl)pyridine-4-carboxylic acid?
3-iodo-5-(trifluoromethyl)pyridine-4-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 3-iodo-5-(trifluoromethyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 130981842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).