Methyl 3-Aminopyridine-2-carboxylate - CAS 36052-27-4

Catalog:	BB022841
Product Name:	Methyl 3-Aminopyridine-2-carboxylate
CAS:	36052-27-4
Synonyms:	3-amino-2-pyridinecarboxylic acid methyl ester; methyl 3-aminopyridine-2-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	methyl 3-aminopyridine-2-carboxylate
Description:	Methyl 3-Aminopyridine-2-carboxylate (CAS# 36052-27-4) is a useful research chemical.
Molecular Weight:	152.15
Molecular Formula:	C7H8N2O2
Canonical SMILES:	COC(=O)C1=C(C=CC=N1)N
InChI:	InChI=1S/C7H8N2O2/c1-11-7(10)6-5(8)3-2-4-9-6/h2-4H,8H2,1H3
InChI Key:	YQKTYFNLRUWQFV-UHFFFAOYSA-N
Boiling Point:	317.293 °C at 760 mmHg
Density:	1.239 g/cm³
LogP:	1.03160

Publication Number	Title	Priority Date
WO-2021096948-A1	Allosteric egfr inhibitors and methods of use thereof	20191111
WO-2021035031-A1	Inhibitors of phospholipid synthesis and methods of use	20190821
WO-2021026803-A1	Piperidinyl-methyl-purineamines as nsd2 inhibitors and anti-cancer agents	20190814
WO-2021028854-A1	Piperidinyl-methyl-purineamines as nsd2 inhibitors and anti-cancer agents	20190814
WO-2020257632-A1	Allosteric egfr inhibitors and methods of use thereof	20190621

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GHS Hazard Statement:	H302 (100%): 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:	0.9