4-Bromo-2-fluoro-3-methylpyridine - CAS 128071-79-4

Catalog:	BB006862
Product Name:	4-Bromo-2-fluoro-3-methylpyridine
CAS:	128071-79-4
Synonyms:	4-bromo-2-fluoro-3-methylpyridine; 4-bromo-2-fluoro-3-methylpyridine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-bromo-2-fluoro-3-methylpyridine
Description:	4-Bromo-2-fluoro-3-methylpyridine (CAS# 128071-79-4) is a useful research chemical for organic synthesis and other chemical processes.
Molecular Weight:	190.01
Molecular Formula:	C6H5BrFN
Canonical SMILES:	CC1=C(C=CN=C1F)Br
InChI:	InChI=1S/C6H5BrFN/c1-4-5(7)2-3-9-6(4)8/h2-3H,1H3
InChI Key:	YRLGBXZZABNBNL-UHFFFAOYSA-N
Boiling Point:	220.2 °C at 760 mmHg
Density:	1.592 g/cm³
Storage:	Inert atmosphere, 2-8 °C
LogP:	2.29160

Publication Number	Title	Priority Date
WO-2021032591-A1	Macrocyclic sulfonylurea derivatives useful as nlrp3 inhibitors	20190816
CN-109851609-A	A kind of carbazole pyridine compounds and its application	20181227
US-2020055874-A1	INHIBITORS OF KEAP1-Nrf2 PROTEIN-PROTEIN INTERACTION	20180820
WO-2020041169-A2	Inhibitors of keap1-nrf2 protein-protein interaction	20180820
TW-202021594-A	Inhibitors of keap1-nrf2 protein-protein interaction	20180820

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Related Functional Groups

Pyridines

[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide
[1261365-99-4]
2,5-Dichloro-6-(hydroxymethyl)pyridin-3-ol
[2122800-15-9]
3-(Phenyl-4-D)-N,N-dimethyl-3-(2-pyridyl)-1-propanamine
[7356-60-7]
3-Amidinopyridine Hydrochloride
[76006-14-9]
3-Chloro-1H-pyrazolo[3,4-c]pyridine

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	99.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	188.95894
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	188.95894
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3