3-Bromo-5,6-dimethyl-2(1H)-pyridinone - CAS 1227465-70-4

Catalog:	BB070702
Product Name:	3-Bromo-5,6-dimethyl-2(1H)-pyridinone
CAS:	1227465-70-4
Synonyms:	3-Bromo-5,6-dimethyl-2(1H)pyridinone; 3-bromo-5,6-dimethyl-1H-pyridin-2-one; 3-Bromo-5,6-dimethylpyridin-2(1H)-one; 3-bromo-5,6-dimethyl-2(1H)-pyridinone(SALTDATA: FREE); 3-Bromo-5,6-dimethylpyridin-2-ol

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	3-bromo-5,6-dimethyl-1H-pyridin-2-one
Molecular Weight:	202.04
Molecular Formula:	C7H8NOBr
Canonical SMILES:	CC1=C(NC(=O)C(=C1)Br)C
InChI:	InChI=1S/C7H8BrNO/c1-4-3-6(8)7(10)9-5(4)2/h3H,1-2H3,(H,9,10)
InChI Key:	STAHIKKWPLWAEU-UHFFFAOYSA-N

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	240
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	200.97893
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	200.97893
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4