2-Fluoro-3-iodo-5-methylpyridine - CAS 153034-78-7

Catalog:	BB010838
Product Name:	2-Fluoro-3-iodo-5-methylpyridine
CAS:	153034-78-7
Synonyms:	2-fluoro-3-iodo-5-methylpyridine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-fluoro-3-iodo-5-methylpyridine
Description:	A tri-substituted pyridine used in the preparation of biologically active compounds such as protein kinase inhibitors.
Molecular Weight:	237.01
Molecular Formula:	C6H5FIN
Canonical SMILES:	CC1=CC(=C(N=C1)F)I
InChI:	InChI=1S/C6H5FIN/c1-4-2-5(8)6(7)9-3-4/h2-3H,1H3
InChI Key:	ANOOZLFFCNANTR-UHFFFAOYSA-N
Boiling Point:	201.7 ℃ at 760 mmHg
Purity:	97 %
Density:	1.182 g/cm³
Solubility:	Soluble in DCM
Appearance:	Light brown powder
MDL:	MFCD03095303
LogP:	2.13370

Publication Number	Title	Priority Date
WO-2021138694-A1	Heteroaryl compounds as inhibitors of programmed necrosis pathway, composition and method using the same	20200102
WO-2021057975-A1	Mutant idh2 inhibitor and application thereof	20190929
AU-2014250391-A1	Pyridinylpyrazoloquinoline compound	20130405
AU-2014250391-B2	Pyridinylpyrazoloquinoline compound	20130405
AU-2014250392-A1	Salt of pyrazoloquinoline derivative, and crystal thereof	20130405

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[856848-33-4]
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[63585-69-3]
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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501
Signal Word:	Danger

Complexity:	99.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	236.94507
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	236.94507
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3