Methyl 6-Amino-5-bromonicotinate - CAS 180340-70-9

Catalog:	BB013668
Product Name:	Methyl 6-Amino-5-bromonicotinate
CAS:	180340-70-9
Synonyms:	6-amino-5-bromo-3-pyridinecarboxylic acid methyl ester; methyl 6-amino-5-bromopyridine-3-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 6-amino-5-bromopyridine-3-carboxylate
Description:	Methyl 6-Amino-5-bromonicotinate (CAS# 180340-70-9) is a useful research chemical.
Molecular Weight:	231.05
Molecular Formula:	C7H7BrN2O2
Canonical SMILES:	COC(=O)C1=CC(=C(N=C1)N)Br
InChI:	InChI=1S/C7H7BrN2O2/c1-12-7(11)4-2-5(8)6(9)10-3-4/h2-3H,1H3,(H2,9,10)
InChI Key:	LNTAAMVZKGYIIA-UHFFFAOYSA-N
Boiling Point:	323.7 °C at 760 mmHg
Density:	1.662 g/cm³
MDL:	MFCD06659561
LogP:	1.79410

Publication Number	Title	Priority Date
CN-112409385-A	Azaaryl compounds and uses thereof	20190822
WO-2021032004-A1	Azaheteroaryl compound and application thereof	20190822
WO-2021032004-A9	Azaheteroaryl compound and application thereof	20190822
US-2020339559-A1	Heterocyclic compounds and their use for treatment of helminthic infections and diseases	20190426
WO-2020219871-A1	Heterocyclic compounds and their use for treatment of helminthic infections and diseases	20190426

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Related Functional Groups

Amines and Anilines

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(4-Pyrazol-1-ylphenyl)methanamine sulfuric acid
[1006473-17-1]
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[932890-93-2]
1-{4-[(2,4-Dichlorobenzyl)oxy]-3-ethoxyphenyl}methanamine
[1824357-78-9]
2-(1-Benzyl-3-pyrazolyl)ethylamine
[1951441-75-0]
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2-(Methylamino)benzonitrile

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	177
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	229.96909
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	229.96909
Rotatable Bond Count:	2
Topological Polar Surface Area:	65.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1