Methyl 5-(Methylamino)nicotinate - CAS 91702-86-2

Catalog:	BB040324
Product Name:	Methyl 5-(Methylamino)nicotinate
CAS:	91702-86-2
Synonyms:	5-(methylamino)-3-pyridinecarboxylic acid methyl ester; methyl 5-(methylamino)pyridine-3-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 5-(methylamino)pyridine-3-carboxylate
Description:	Methyl 5-(Methylamino)nicotinate (CAS# 91702-86-2) is a useful research chemical.
Molecular Weight:	166.18
Molecular Formula:	C8H10N2O2
Canonical SMILES:	CNC1=CN=CC(=C1)C(=O)OC
InChI:	InChI=1S/C8H10N2O2/c1-9-7-3-6(4-10-5-7)8(11)12-2/h3-5,9H,1-2H3
InChI Key:	XIYNYAIMEJCRCU-UHFFFAOYSA-N
LogP:	0.98290

Publication Number	Title	Priority Date
KR-20190127720-A	Macrocyclic broad-spectrum antibiotics	20170215
CN-104024226-A	Novel nicotinamide derivative or salt thereof	20111228
WO-2012097196-A1	Pyrazolopyrimidine derivatives and uses as anticancer agents	20110112
EP-0110484-A1	Derivatives of aminopyridinecarboxylic acids, methods for their preparation and pharmaceutical compositions containing them	19821203
EP-0110484-B1	Derivatives of aminopyridinecarboxylic acids, methods for their preparation and pharmaceutical compositions containing them	19821203

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Complexity:	161
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	166.074227566
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	166.074227566
Rotatable Bond Count:	3
Topological Polar Surface Area:	51.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7