4-chloro-5-iodo-3-(trifluoromethoxy)pyridine-2-carbonyl chloride

C7HCl2F3INO2 — CID 118839226

IUPAC4-chloro-5-iodo-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
SMILESO=C(Cl)c1ncc(I)c(Cl)c1OC(F)(F)F
InChIInChI=1S/C7HCl2F3INO2/c8-3-2(13)1-14-4(6(9)15)5(3)16-7(10,11)12/h1H
InChIKeyIQXSNFDXGGBNCO-UHFFFAOYSA-N
MW385.89 g/mol
LogP3.62
Rot. Bonds2

About 4-chloro-5-iodo-3-(trifluoromethoxy)pyridine-2-carbonyl chloride

4-chloro-5-iodo-3-(trifluoromethoxy)pyridine-2-carbonyl chloride (PubChem CID 118839226) has the molecular formula C7HCl2F3INO2 and a molecular weight of 385.89 g/mol. Its IUPAC name is 4-chloro-5-iodo-3-(trifluoromethoxy)pyridine-2-carbonyl chloride.

Molecular Properties

Compound Name4-chloro-5-iodo-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
PubChem CID118839226
Molecular FormulaC7HCl2F3INO2
Molecular Weight385.89 g/mol
Exact Mass384.84
IUPAC Name4-chloro-5-iodo-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
SMILESO=C(Cl)c1ncc(I)c(Cl)c1OC(F)(F)F
InChIInChI=1S/C7HCl2F3INO2/c8-3-2(13)1-14-4(6(9)15)5(3)16-7(10,11)12/h1H
InChIKeyIQXSNFDXGGBNCO-UHFFFAOYSA-N
XLogP3.62
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.89
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118824021
5-(fluoromethyl)-4-iodo-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134667317
2-(fluoromethyl)-5-iodo-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118849000
methyl 2-(chloromethyl)-5-iodo-3-(trifluoromethoxy)pyridine-4-carboxylate
CID 134660298
5-(aminomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 134672585
4-iodo-6-methyl-5-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 118816215
2,4,5-triiodo-3-(trifluoromethoxy)pyridine
CID 130094431
ethyl 4-(bromomethyl)-5-iodo-3-(trifluoromethoxy)pyridine-2-carboxylate
CID 134678471
6-iodo-4-nitro-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 134660245
methyl 5-(fluoromethyl)-3-iodo-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 134669057
2-(difluoromethyl)-5-iodo-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118826106
5-iodo-4-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carbonyl chloride
CID 118810426

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-iodo-3-(trifluoromethoxy)pyridine-2-carbonyl chloride?
The IUPAC name of 4-chloro-5-iodo-3-(trifluoromethoxy)pyridine-2-carbonyl chloride (CID 118839226) is 4-chloro-5-iodo-3-(trifluoromethoxy)pyridine-2-carbonyl chloride.
What is the SMILES notation for 4-chloro-5-iodo-3-(trifluoromethoxy)pyridine-2-carbonyl chloride?
The canonical SMILES for 4-chloro-5-iodo-3-(trifluoromethoxy)pyridine-2-carbonyl chloride is O=C(Cl)c1ncc(I)c(Cl)c1OC(F)(F)F.
What is the InChIKey of 4-chloro-5-iodo-3-(trifluoromethoxy)pyridine-2-carbonyl chloride?
The InChIKey is IQXSNFDXGGBNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HCl2F3INO2/c8-3-2(13)1-14-4(6(9)15)5(3)16-7(10,11)12/h1H.
What are the key properties of 4-chloro-5-iodo-3-(trifluoromethoxy)pyridine-2-carbonyl chloride?
4-chloro-5-iodo-3-(trifluoromethoxy)pyridine-2-carbonyl chloride has a molecular weight of 385.89 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-iodo-3-(trifluoromethoxy)pyridine-2-carbonyl chloride is sourced from PubChem (CID 118839226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).