4-Bromo-2,3-difluoropyridine - CAS 1227597-53-6

Catalog:	BB005501
Product Name:	4-Bromo-2,3-difluoropyridine
CAS:	1227597-53-6
Synonyms:	4-bromo-2,3-difluoropyridine; 4-bromo-2,3-difluoropyridine

Technical Data

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Computed Properties

IUPAC Name:	4-bromo-2,3-difluoropyridine
Description:	4-Bromo-2,3-difluoropyridine (CAS# 1227597-53-6 ) is a useful research chemical.
Molecular Weight:	193.98
Molecular Formula:	C5H2BrF2N
Canonical SMILES:	C1=CN=C(C(=C1Br)F)F
InChI:	InChI=1S/C5H2BrF2N/c6-3-1-2-9-5(8)4(3)7/h1-2H
InChI Key:	FDDSLPSJQMGNQB-UHFFFAOYSA-N
LogP:	2.12230

Publication Number	Title	Priority Date
US-2020171020-A1	Substituted 6-azabenzimidazole compounds	20181031
WO-2020092528-A1	Substituted 6-azabenzimidazole compounds having hpk1 inhibitory activity	20181031
TW-202031654-A	Substituted 6-azabenzimidazole compounds	20181031
CN-112969505-A	Substituted 6-azabenzimidazole compounds having HPK1 inhibiting activity	20181031
EP-3873608-A1	Substituted 6-azabenzimidazole compounds having hpk1 inhibitory activity	20181031

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; 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:	101
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	192.93387
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	192.93387
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1