5-iodo-2-(trifluoromethyl)pyridine-3-carbonyl chloride

C7H2ClF3INO — CID 130849786

IUPAC5-iodo-2-(trifluoromethyl)pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1cc(I)cnc1C(F)(F)F
InChIInChI=1S/C7H2ClF3INO/c8-6(14)4-1-3(12)2-13-5(4)7(9,10)11/h1-2H
InChIKeyRVYQKYZWYBPJBG-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.08
Rot. Bonds1

About 5-iodo-2-(trifluoromethyl)pyridine-3-carbonyl chloride

5-iodo-2-(trifluoromethyl)pyridine-3-carbonyl chloride (PubChem CID 130849786) has the molecular formula C7H2ClF3INO and a molecular weight of 335.45 g/mol. Its IUPAC name is 5-iodo-2-(trifluoromethyl)pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name5-iodo-2-(trifluoromethyl)pyridine-3-carbonyl chloride
PubChem CID130849786
Molecular FormulaC7H2ClF3INO
Molecular Weight335.45 g/mol
Exact Mass334.88
IUPAC Name5-iodo-2-(trifluoromethyl)pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1cc(I)cnc1C(F)(F)F
InChIInChI=1S/C7H2ClF3INO/c8-6(14)4-1-3(12)2-13-5(4)7(9,10)11/h1-2H
InChIKeyRVYQKYZWYBPJBG-UHFFFAOYSA-N
XLogP3.08
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride
CID 10846987
5-cyano-2,6-bis(trifluoromethyl)pyridine-3-carbonyl chloride
CID 174943784
2-chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride
CID 2736708
2,5-bis(trifluoromethyl)pyridine-3-carboxylic acid
CID 119013467
3-(fluoromethoxy)-5-iodo-2-(trifluoromethyl)pyridine
CID 131011041
5-iodo-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 130784436
5-iodo-2-(trifluoromethyl)pyridine-4-carboxamide
CID 130865841
4-cyano-2-(trifluoromethyl)pyridine-3-carbonyl chloride
CID 118822589
4-(difluoromethyl)-5-iodo-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118817666
methyl 2-fluoro-5-iodopyridine-3-carboxylate
CID 130882926
2-(difluoromethyl)-5-iodopyridine-3-carboxamide
CID 118837602
4-(trifluoromethyl)-1,3-thiazole-5-carbonyl chloride
CID 135150553

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(trifluoromethyl)pyridine-3-carbonyl chloride?
The IUPAC name of 5-iodo-2-(trifluoromethyl)pyridine-3-carbonyl chloride (CID 130849786) is 5-iodo-2-(trifluoromethyl)pyridine-3-carbonyl chloride.
What is the SMILES notation for 5-iodo-2-(trifluoromethyl)pyridine-3-carbonyl chloride?
The canonical SMILES for 5-iodo-2-(trifluoromethyl)pyridine-3-carbonyl chloride is O=C(Cl)c1cc(I)cnc1C(F)(F)F.
What is the InChIKey of 5-iodo-2-(trifluoromethyl)pyridine-3-carbonyl chloride?
The InChIKey is RVYQKYZWYBPJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClF3INO/c8-6(14)4-1-3(12)2-13-5(4)7(9,10)11/h1-2H.
What are the key properties of 5-iodo-2-(trifluoromethyl)pyridine-3-carbonyl chloride?
5-iodo-2-(trifluoromethyl)pyridine-3-carbonyl chloride has a molecular weight of 335.45 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(trifluoromethyl)pyridine-3-carbonyl chloride is sourced from PubChem (CID 130849786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).