Methyl 6-Hydroxynicotinate - CAS 66171-50-4

Catalog:	BB032926
Product Name:	Methyl 6-Hydroxynicotinate
CAS:	66171-50-4
Synonyms:	6-oxo-1H-pyridine-3-carboxylic acid methyl ester; methyl 6-oxo-1H-pyridine-3-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	methyl 6-oxo-1H-pyridine-3-carboxylate
Description:	Methyl 6-Hydroxynicotinate (CAS# 66171-50-4) is a useful research chemical.
Molecular Weight:	153.14
Molecular Formula:	C7H7NO3
Canonical SMILES:	COC(=O)C1=CNC(=O)C=C1
InChI:	InChI=1S/C7H7NO3/c1-11-7(10)5-2-3-6(9)8-4-5/h2-4H,1H3,(H,8,9)
InChI Key:	JTVVPKLHKMKWNN-UHFFFAOYSA-N
Boiling Point:	342.4 °C at 760 mmHg
Density:	1.263 g/cm³
MDL:	MFCD04113616
LogP:	0.16150

Publication Number	Title	Priority Date
WO-2021149776-A1	Arylamide derivative having antitumor activity	20200122
US-2021236663-A1	Compounds and probes for imaging huntingtin protein	20191218
WO-2021127265-A1	Compounds and probes for imaging huntingtin protein	20191218
WO-2021071806-A1	Arylmethylene heterocyclic compounds as kv1.3 potassium shaker channel blockers	20191007
WO-2021048567-A1	New compounds and methods	20190911

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Related Functional Groups

Carbonyl Compounds

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[1427004-19-0]
DBCO-PEG4-NHS ester
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	252
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	153.042593085
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	153.042593085
Rotatable Bond Count:	2
Topological Polar Surface Area:	55.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2