5-Bromo-2-cyanopyrimidine - CAS 38275-57-9

Catalog:	BB023610
Product Name:	5-Bromo-2-cyanopyrimidine
CAS:	38275-57-9
Synonyms:	5-bromo-2-pyrimidinecarbonitrile; 5-bromopyrimidine-2-carbonitrile

Technical Data

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Computed Properties

IUPAC Name:	5-bromopyrimidine-2-carbonitrile
Description:	5-Bromo-2-cyanopyrimidine (CAS# 38275-57-9) is a useful research chemical.
Molecular Weight:	183.99
Molecular Formula:	C5H2BrN3
Canonical SMILES:	C1=C(C=NC(=N1)C#N)Br
InChI:	InChI=1S/C5H2BrN3/c6-4-2-8-5(1-7)9-3-4/h2-3H
InChI Key:	VPQICCOHFSGBMA-UHFFFAOYSA-N
Boiling Point:	317.7 °C at 760 mmHg
Density:	1.86 g/cm³
LogP:	1.11078

Publication Number	Title	Priority Date
WO-2021151014-A1	Pgdh inhibitors and methods of making and using	20200123
CN-113072546-A	Five-membered heteroaromatic derivative and preparation method and application thereof	20200106
WO-2021130259-A1	Dihydrocyclopenta-isoquinoline-sulfonamide derivatives compounds	20191223
WO-2021018820-A1	Heteroaryl-substituted pyrazolo-pyridine protein kinase inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death	20190729
WO-2021012018-A1	Inhibitor compounds	20190724

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Related Functional Groups

Nitrogen Compounds

[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile
[862649-86-3]
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol
[1354706-05-0]
3-Bromo-1-ethyl-5-methyl-1H-pyrazole

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GHS Hazard Statement:	H302 (66.67%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	130
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	182.94321
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	182.94321
Rotatable Bond Count:	0
Topological Polar Surface Area:	49.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9