5-Bromo-2-methylpyrimidine - CAS 7752-78-5

Catalog:	BB035971
Product Name:	5-Bromo-2-methylpyrimidine
CAS:	7752-78-5
Synonyms:	5-bromo-2-methylpyrimidine; 5-bromo-2-methylpyrimidine

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-2-methylpyrimidine
Description:	A disubstituted pyrimidine derivative with strong insecticidal effects on house flies.
Molecular Weight:	173.01
Molecular Formula:	C5H5BrN2
Canonical SMILES:	CC1=NC=C(C=N1)Br
InChI:	InChI=1S/C5H5BrN2/c1-4-7-2-5(6)3-8-4/h2-3H,1H3
InChI Key:	NEDJTEXNSTUKHW-UHFFFAOYSA-N
Boiling Point:	195.25 °C at 760 mmHg
Density:	1.597 g/cm³
MDL:	MFCD07375143
LogP:	1.54750

Publication Number	Title	Priority Date
WO-2015197567-A1	Indolin-2-one or pyrrolo-pyridin-2-one derivatives	20140626
WO-2015177110-A1	INDOLIN-2-ONE AND 1,3-DIHYDRO-PYRROLO[3,2-c]PYRIDIN-2-ONE DERIVATIVES	20140522
WO-2015128358-A1	Azoline compounds	20140226
WO-2015106058-A1	Pyrimidine pyrazolyl derivatives and their use as irak inhibitors	20140109
US-2016095844-A1	Indolin-2-one or pyrrolo-pyridin/pyrimidin-2-one derivatives	20130619

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Related Functional Groups

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[860790-29-0]
N-[4-Cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl]propane-1,3-diamine

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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

Complexity:	68.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	171.96361
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	171.96361
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3