Methyl 6-Aminopyridine-2-carboxylate - CAS 36052-26-3

Catalog:	BB022840
Product Name:	Methyl 6-Aminopyridine-2-carboxylate
CAS:	36052-26-3
Synonyms:	6-amino-2-pyridinecarboxylic acid methyl ester; methyl 6-aminopyridine-2-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	methyl 6-aminopyridine-2-carboxylate
Description:	Methyl 6-Aminopyridine-2-carboxylate (CAS# 36052-26-3) is an intermediate used to prepare thienopyrroles as allosteric inhibitors of hepatitis C virus NS5B polymerase.
Molecular Weight:	152.15
Molecular Formula:	C7H8N2O2
Canonical SMILES:	COC(=O)C1=NC(=CC=C1)N
InChI:	InChI=1S/C7H8N2O2/c1-11-7(10)5-3-2-4-6(8)9-5/h2-4H,1H3,(H2,8,9)
InChI Key:	OHIHEJTUXNQOPM-UHFFFAOYSA-N
Boiling Point:	321.1 °C at 760 mmHg
Density:	1.238 g/cm³
LogP:	1.03160

Publication Number	Title	Priority Date
CN-111808079-A	Indole ASK1 small molecule inhibitor and preparation method and application thereof	20200805
CN-111521601-A	Application of ratio-type fluorescent polymer hydrogel in seafood freshness detection	20200422
WO-2021152462-A1	Process for preparation of lasmiditan	20200131
WO-2021147940-A1	Pd-1/pd-l1 inhibitor, preparation method therefor, and use thereof	20200121
US-2021198241-A1	Substituted tetrahydrofurans as modulators of sodium channels	20191206

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Related Functional Groups

Carbonyl Compounds

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GHS Hazard Statement:	H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	149
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	152.058577502
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	152.058577502
Rotatable Bond Count:	2
Topological Polar Surface Area:	65.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7