Methyl 2-Amino-5-bromoisonicotinate - CAS 882499-87-8

Catalog:	BB038793
Product Name:	Methyl 2-Amino-5-bromoisonicotinate
CAS:	882499-87-8
Synonyms:	2-amino-5-bromo-4-pyridinecarboxylic acid methyl ester; methyl 2-amino-5-bromopyridine-4-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	methyl 2-amino-5-bromopyridine-4-carboxylate
Description:	Methyl 2-Amino-5-bromoisonicotinate (CAS# 882499-87-8) is a useful research chemical.
Molecular Weight:	231.05
Molecular Formula:	C7H7BrN2O2
Canonical SMILES:	COC(=O)C1=CC(=NC=C1Br)N
InChI:	InChI=1S/C7H7BrN2O2/c1-12-7(11)4-2-6(9)10-3-5(4)8/h2-3H,1H3,(H2,9,10)
InChI Key:	FJPDYKLTAURVRU-UHFFFAOYSA-N
Boiling Point:	311.5 °C at 760 mmHg
Density:	1.662 g/cm³
MDL:	MFCD09027294
LogP:	1.79410

Publication Number	Title	Priority Date
WO-2021151062-A1	Heterocyclic compounds and uses thereof	20200124
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Carbonyl Compounds

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GHS Hazard Statement:	H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement:	P261, P272, P280, P302+P352, P321, P333+P313, P363, 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