3-Fluoro-5-iodopyridine - CAS 757950-13-3

Catalog:	BB035401
Product Name:	3-Fluoro-5-iodopyridine
CAS:	757950-13-3
Synonyms:	3-fluoro-5-iodopyridine; 3-fluoro-5-iodopyridine

Technical Data

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Computed Properties

IUPAC Name:	3-fluoro-5-iodopyridine
Description:	3-Fluoro-5-iodopyridine (CAS# 757950-13-3) is a reagent used in the synthesis of a novel labeled phosphodiesterase-IV inhibitor II.
Molecular Weight:	222.99
Molecular Formula:	C5H3FIN
Canonical SMILES:	C1=C(C=NC=C1I)F
InChI:	InChI=1S/C5H3FIN/c6-4-1-5(7)3-8-2-4/h1-3H
InChI Key:	MMJSSIRVEYQWMU-UHFFFAOYSA-N
Boiling Point:	196.2 °C at 760 mmHg
Density:	2.046 g/cm³
MDL:	MFCD08457780
LogP:	1.82530

Publication Number	Title	Priority Date
JP-2021138858-A	Additives for rubber, rubber compositions, manufacturing methods of rubber compositions, tires and rubber belts	20200306
WO-2021028512-A1	Arylsulfonamide derivatives as mglur4 negative allosteric modulators	20190815
WO-2020189540-A1	Method for preparing aromatic amino acid derivative	20190315
WO-2020045316-A1	Modifier for polymer, production method for modified conjugated-diene polymer, modified conjugated-diene polymer, rubber composition, tire, and rubber belt	20180830
TW-202019981-A	Modifier for polymer, method for manufacturing modified conjugated diene polymer, modified conjugated diene polymer, rubber composition, tire and rubber belt	20180830

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	78.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	222.92942
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	222.92942
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6