4-Bromo-5-methylpyridine-2-carboxaldehyde - CAS 1196157-14-8

Catalog:	BB004557
Product Name:	4-Bromo-5-methylpyridine-2-carboxaldehyde
CAS:	1196157-14-8
Synonyms:	4-bromo-5-methyl-2-pyridinecarboxaldehyde; 4-bromo-5-methylpyridine-2-carbaldehyde

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-bromo-5-methylpyridine-2-carbaldehyde
Description:	4-Bromo-5-methylpyridine-2-carboxaldehyde (CAS# 1196157-14-8) is a reagent used in the preparation of voltage-gated sodium channel modulators for therapy.
Molecular Weight:	200.03
Molecular Formula:	C7H6BrNO
Canonical SMILES:	CC1=CN=C(C=C1Br)C=O
InChI:	InChI=1S/C7H6BrNO/c1-5-3-9-6(4-10)2-7(5)8/h2-4H,1H3
InChI Key:	OQUTVBJUSOBKKN-UHFFFAOYSA-N
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD13190304
LogP:	1.96500

Publication Number	Title	Priority Date
WO-2021057975-A1	Mutant idh2 inhibitor and application thereof	20190929
EP-2794612-A1	2 - (pyridin- 2yl) - 1, 7 -diaza- spiro [4.4]nonane- 6 -one compounds as voltage - gated sodium channels modulators	20111222
EP-2794612-B1	2-(pyridin-2yl)-1,7-diaza-spiro[4.4]nonane-6-one compounds as voltage-gated sodium channels modulators	20111222
JP-2015502395-A	2- (Pyridin-2-yl) -1,7-diaza-spiro [4.4] nonan-6-one compounds as voltage-gated sodium channel modulators	20111222
US-2015225400-A1	2 - (pyridin- 2yl)- 1, 7 -diaza-spiro [4.4] nonane- 6 -one compound as voltage-gated sodium channels modulators	20111222

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Related Functional Groups

Carbonyl Compounds

[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[1016519-61-1]
2-(Methyl-2-pyridylamino)acetic Acid
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide

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:	129
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	198.96328
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	198.96328
Rotatable Bond Count:	1
Topological Polar Surface Area:	30 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7