5-Bromopyridine-3-acetonitrile - CAS 39891-08-2

Catalog:	BB024181
Product Name:	5-Bromopyridine-3-acetonitrile
CAS:	39891-08-2
Synonyms:	2-(5-bromo-3-pyridinyl)acetonitrile; 2-(5-bromopyridin-3-yl)acetonitrile

Technical Data

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Computed Properties

IUPAC Name:	2-(5-bromopyridin-3-yl)acetonitrile
Description:	5-Bromopyridine-3-acetonitrile (CAS# 39891-08-2) is a useful research chemical.
Molecular Weight:	197.03
Molecular Formula:	C7H5BrN2
Canonical SMILES:	C1=C(C=NC=C1Br)CC#N
InChI:	InChI=1S/C7H5BrN2/c8-7-3-6(1-2-9)4-10-5-7/h3-5H,1H2
InChI Key:	NGSJXAQHUJFHEF-UHFFFAOYSA-N
Boiling Point:	308.4 °C at 760 mmHg
Density:	1.575 g/cm³
MDL:	MFCD06657722
LogP:	1.91018

Publication Number	Title	Priority Date
WO-2021064189-A2	Prostaglandin e2 (pge2) ep4 receptor antagonists	20191002
WO-2020051564-A1	Polycyclic compounds and methods for the targeted degradation of rapidly accelerated fibrosarcoma polypeptides	20180907
AU-2019335516-A1	Polycyclic compounds and methods for the targeted degradation of rapidly accelerated fibrosarcoma polypeptides	20180907
CN-113164775-A	Polycyclic compounds and methods for rapid accelerated targeted degradation of fibrosarcoma polypeptides	20180907
EP-3846907-A1	Polycyclic compounds and methods for the targeted degradation of rapidly accelerated fibrosarcoma polypeptides	20180907

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Related Functional Groups

Nitrogen Compounds

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1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	149
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	195.96361
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	195.96361
Rotatable Bond Count:	1
Topological Polar Surface Area:	36.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2