5-iodo-4-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carbonyl chloride

C7H2ClF3INO3 — CID 118810426

IUPAC5-iodo-4-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carbonyl chloride
SMILESO=C(Cl)c1[nH]cc(I)c(=O)c1OC(F)(F)F
InChIInChI=1S/C7H2ClF3INO3/c8-6(15)3-5(16-7(9,10)11)4(14)2(12)1-13-3/h1H,(H,13,14)
InChIKeyXMXMXFLDDBSOTP-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.26
Rot. Bonds2

About 5-iodo-4-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carbonyl chloride

5-iodo-4-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carbonyl chloride (PubChem CID 118810426) has the molecular formula C7H2ClF3INO3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 5-iodo-4-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carbonyl chloride.

Molecular Properties

Compound Name5-iodo-4-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carbonyl chloride
PubChem CID118810426
Molecular FormulaC7H2ClF3INO3
Molecular Weight367.45 g/mol
Exact Mass366.87
IUPAC Name5-iodo-4-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carbonyl chloride
SMILESO=C(Cl)c1[nH]cc(I)c(=O)c1OC(F)(F)F
InChIInChI=1S/C7H2ClF3INO3/c8-6(15)3-5(16-7(9,10)11)4(14)2(12)1-13-3/h1H,(H,13,14)
InChIKeyXMXMXFLDDBSOTP-UHFFFAOYSA-N
XLogP2.26
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.26
H-Bond Donors ≤ 51
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

6-methoxy-4-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carbonyl chloride
CID 134666645
4-iodo-6-methyl-5-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 118816215
4-chloro-5-iodo-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 118839226
2-(difluoromethyl)-5-iodo-4-oxo-1H-pyridine-3-carbonyl chloride
CID 118815340
5-fluoro-3-iodo-4-(trifluoromethoxy)-1H-pyridin-2-one
CID 131115667
1,3-diiodo-2-(trifluoromethoxy)benzene
CID 151510849
4-iodo-6-methyl-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 130111068
2-chloro-3,5-diiodo-1H-pyridin-4-one
CID 135303894
3-iodo-6-(trifluoromethyl)-1H-quinolin-4-one
CID 102537541
5-(chloromethyl)-3-iodo-2-(trifluoromethoxy)-1H-pyridin-4-one
CID 130111278
6-(aminomethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid
CID 118808776
methyl 2-[5-iodo-4-oxo-6-(trifluoromethoxy)-1H-pyridin-3-yl]acetate
CID 134659695

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carbonyl chloride?
The IUPAC name of 5-iodo-4-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carbonyl chloride (CID 118810426) is 5-iodo-4-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carbonyl chloride.
What is the SMILES notation for 5-iodo-4-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carbonyl chloride?
The canonical SMILES for 5-iodo-4-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carbonyl chloride is O=C(Cl)c1[nH]cc(I)c(=O)c1OC(F)(F)F.
What is the InChIKey of 5-iodo-4-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carbonyl chloride?
The InChIKey is XMXMXFLDDBSOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClF3INO3/c8-6(15)3-5(16-7(9,10)11)4(14)2(12)1-13-3/h1H,(H,13,14).
What are the key properties of 5-iodo-4-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carbonyl chloride?
5-iodo-4-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carbonyl chloride has a molecular weight of 367.45 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carbonyl chloride is sourced from PubChem (CID 118810426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).