5-(Methoxycarbonyl)picolinic Acid - CAS 17874-79-2

Catalog:	BB013501
Product Name:	5-(Methoxycarbonyl)picolinic Acid
CAS:	17874-79-2
Synonyms:	5-methoxycarbonyl-2-pyridinecarboxylic acid; 5-methoxycarbonylpyridine-2-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	5-methoxycarbonylpyridine-2-carboxylic acid
Description:	Compound has been shown to have insulin mimetic properties.
Molecular Weight:	181.15
Molecular Formula:	C8H7NO4
Canonical SMILES:	COC(=O)C1=CN=C(C=C1)C(=O)O
InChI:	InChI=1S/C8H7NO4/c1-13-8(12)5-2-3-6(7(10)11)9-4-5/h2-4H,1H3,(H,10,11)
InChI Key:	NTCKZTBRFXTYBD-UHFFFAOYSA-N
Boiling Point:	347.9 °C at 760 mmHg
Density:	1.361 g/cm³
Solubility:	21.5 [ug/mL] (The mean of the results at pH 7.4)
Appearance:	Powder
LogP:	0.56640

Publication Number	Title	Priority Date
CN-111718245-A	Method for preparing deuterated chemicals through photocatalytic decarboxylation conversion	20200722
CN-111718245-B	Method for preparing deuterated chemicals through photocatalytic decarboxylation conversion	20200722
WO-2021147940-A1	Pd-1/pd-l1 inhibitor, preparation method therefor, and use thereof	20200121
CN-112707873-A	Substituted oxazole derivative and application thereof in medicine	20191025
WO-2021007313-A1	Wnt activators and methods of use	20190708

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GHS Hazard Statement:	H302 (25%): 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:	216
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	181.03750770
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	181.03750770
Rotatable Bond Count:	3
Topological Polar Surface Area:	76.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6