2-Acetylamino-3-bromo-5-methylpyridine - CAS 142404-83-9

Name: 2-Acetylamino-3-bromo-5-methylpyridine
Brand: BOC Sciences
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Catalog:	BB009369
Product Name:	2-Acetylamino-3-bromo-5-methylpyridine
CAS:	142404-83-9
Synonyms:	N-(3-bromo-5-methylpyridin-2-yl)acetamide

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Computed Properties

IUPAC Name:	N-(3-bromo-5-methylpyridin-2-yl)acetamide
Description:	2-Acetylamino-3-bromo-5-methylpyridine (CAS# 142404-83-9) is a useful research chemical for organic synthesis and other chemical processes.
Molecular Weight:	229.07
Molecular Formula:	C8H9BrN2O
Canonical SMILES:	CC1=CC(=C(N=C1)NC(=O)C)Br
InChI:	InChI=1S/C8H9BrN2O/c1-5-3-7(9)8(10-4-5)11-6(2)12/h3-4H,1-2H3,(H,10,11,12)
InChI Key:	BJABQGWWODTQNB-UHFFFAOYSA-N
Boiling Point:	368.8 °C at 760 mmHg
Density:	1.545 g/cm³
MDL:	MFCD06798091
LogP:	2.18390

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P272, P280, P301+P312, P302+P352, P305+P351+P338, P310, P321, P330, P333+P313, P363, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
CA-2220808-C	Substituted pyridines	19961114
DE-69724216-T2	Pyridine intermediates, useful for the preparation of beta-adrenergic receptor agonists	19961114
EP-0842924-A1	Pyridine intermediates, useful in the synthesis of beta-adrenergic receptor agonists	19961114
EP-0842924-B1	Pyridine intermediates, useful in the synthesis of beta-adrenergic receptor agonists	19961114
ES-2203762-T3	INTERMEDIATE PYRIDINS USEFUL IN THE SYNTHESIS OF AGONISTS OF THE BETA ADRENERGIC RECEIVER	19961114

Complexity:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	227.98983
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	227.98983
Rotatable Bond Count:	1
Topological Polar Surface Area:	42 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4