5-Bromo-1-methylpyridin-2(1H)-one - CAS 81971-39-3

Name: 5-Bromo-1-methylpyridin-2(1H)-one
Brand: BOC Sciences
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Catalog:	BB036735
Product Name:	5-Bromo-1-methylpyridin-2(1H)-one
CAS:	81971-39-3
Synonyms:	5-bromo-1-methyl-2-pyridinone; 5-bromo-1-methylpyridin-2-one

Technical Data

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Patents

Computed Properties

IUPAC Name:	5-bromo-1-methylpyridin-2-one
Description:	5-Bromo-1-methylpyridin-2(1H)-one (CAS# 81971-39-3) is a useful research chemical.
Molecular Weight:	188.02
Molecular Formula:	C6H6BrNO
Canonical SMILES:	CN1C=C(C=CC1=O)Br
InChI:	InChI=1S/C6H6BrNO/c1-8-4-5(7)2-3-6(8)9/h2-4H,1H3
InChI Key:	HHVFVHIUOMMWRN-UHFFFAOYSA-N
MDL:	MFCD09972188
LogP:	1.14780

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride

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GHS Hazard Statement:	H302 (33.33%): 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

Publication Number	Title	Priority Date
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Complexity:	195
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	186.96328
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	186.96328
Rotatable Bond Count:	0
Topological Polar Surface Area:	20.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8