2-Hydroxy-5-iodo-3-(trifluoromethyl)pyridine - CAS 887707-23-5

Catalog:	BB039196
Product Name:	2-Hydroxy-5-iodo-3-(trifluoromethyl)pyridine
CAS:	887707-23-5
Synonyms:	5-iodo-3-(trifluoromethyl)-1H-pyridin-2-one; 5-iodo-3-(trifluoromethyl)-1H-pyridin-2-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-iodo-3-(trifluoromethyl)-1H-pyridin-2-one
Description:	2-Hydroxy-5-iodo-3-(trifluoromethyl)pyridine (CAS# 887707-23-5) is a useful research chemical.
Molecular Weight:	288.99
Molecular Formula:	C6H3F3INO
Canonical SMILES:	C1=C(C(=O)NC=C1I)C(F)(F)F
InChI:	InChI=1S/C6H3F3INO/c7-6(8,9)4-1-3(10)2-11-5(4)12/h1-2H,(H,11,12)
InChI Key:	ACMILMILHHLANU-UHFFFAOYSA-N
Boiling Point:	249.186 °C at 760 mmHg
Density:	2.112 g/cm³
MDL:	MFCD12024303
LogP:	1.99830

Publication Number	Title	Priority Date
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WO-2020114477-A1	Compound acting as immunomodulator, preparation method therefor and uses thereof	20181206
EP-3892616-A1	Aromatic ring derivative as immunoregulation and preparation method and application of aromatic ring derivative	20181206
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Related Functional Groups

Pyridines

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2-(Pyridin-3-ylmethoxy)aniline dihydrochloride
[942206-23-7]
2,5-Dichloro-3-iodopyridine
[856848-33-4]
2-Amino-4,5-dibromopyridine
[1087659-19-5]
3-Methoxy-5-(phenylcarbamoyl)isonicotinic acid
[133928-61-7]
4-Chloro-N-phenylpicolinamide
[1222533-88-1]
5-(Trifluoromethyl)-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word:	Warning

Complexity:	279
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	288.92115
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	288.92115
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3