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Methyl 2-Fluoro-4-iodopyridine-3-carboxylate

Methyl 2-Fluoro-4-iodopyridine-3-carboxylate - CAS 884494-84-2

Catalog:	BB038867
Product Name:	Methyl 2-Fluoro-4-iodopyridine-3-carboxylate
CAS:	884494-84-2
Synonyms:	2-fluoro-4-iodo-3-pyridinecarboxylic acid methyl ester; methyl 2-fluoro-4-iodopyridine-3-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 2-fluoro-4-iodopyridine-3-carboxylate
Description:	Methyl 2-Fluoro-4-iodopyridine-3-carboxylate (CAS# 884494-84-2) is a useful research chemical.
Molecular Weight:	281.02
Molecular Formula:	C7H5FINO2
Canonical SMILES:	COC(=O)C1=C(C=CN=C1F)I
InChI:	InChI=1S/C7H5FINO2/c1-12-7(11)5-4(9)2-3-10-6(5)8/h2-3H,1H3
InChI Key:	SEKGCCUEERLGFN-UHFFFAOYSA-N
Boiling Point:	286.501 °C at 760 mmHg
Density:	1.914 g/cm³
MDL:	MFCD04972401
LogP:	1.61190

Publication Number	Title	Priority Date
WO-2020120994-A1	Orexin 1 receptor antagonists	20181214
AU-2018228541-A1	Novel isoindoline derivative, and pharmaceutical composition and application thereof	20170228
CA-3052516-A1	An isoindoline derivative, a pharmaceutical composition and use the reof	20170228
EP-3590924-A1	Novel isoindoline derivative, and pharmaceutical composition and application thereof	20170228
JP-2020509017-A	Novel isoindoline derivatives, pharmaceutical compositions and uses thereof	20170228

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Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride
[438616-66-1]
2-(4-Tert-Butylphenyl)cyclopropanecarbohydrazide

GHS Hazard Statement:	H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	179
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	280.9349
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	280.9349
Rotatable Bond Count:	2
Topological Polar Surface Area:	39.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8