Methyl indole-6-carboxylate - CAS 50820-65-0

Catalog:	BB027227
Product Name:	Methyl indole-6-carboxylate
CAS:	50820-65-0
Synonyms:	methyl 1H-indole-6-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 1H-indole-6-carboxylate
Description:	An indole compound for treating pain, inflammation and other conditions.
Molecular Weight:	175.18
Molecular Formula:	C10H9NO2
Canonical SMILES:	COC(=O)C1=CC2=C(C=C1)C=CN2
InChI:	InChI=1S/C10H9NO2/c1-13-10(12)8-3-2-7-4-5-11-9(7)6-8/h2-6,11H,1H3
InChI Key:	AYYOZKHMSABVRP-UHFFFAOYSA-N
Boiling Point:	331.7 °C at 760 mmHg
Density:	1.253 g/cm³
MDL:	MFCD00211063
LogP:	1.95450

Publication Number	Title	Priority Date
CN-112608311-A	Chiral [3.3.1] azacycloindole alkaloid derivative and preparation method and application thereof	20201223
CN-112251771-A	Method for synthesizing C-2 bromo-indole by using electrochemical microchannel device	20201026
CN-111620885-A	Poly R-indole blue light absorber and preparation method and application thereof	20200630
WO-2021202977-A1	Pyrrolopyrimidine amines as complement inhibitors	20200403
WO-2021132627-A1	Method for culturing hematopoietic stem cells	20191226

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Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

Indoles

[1884330-89-5]
1-Methyl-1H-indole-5-D
[365547-91-7]
Ethyl 2-amino-5-chloro-1H-indole-3-carboxylate
[1375064-43-9]
Ethyl 3-Bromo-7-methylindole-1-carboxylate
[467458-46-4]
Ethyl 3-formyl-1H-indole-5-carboxylate
[927181-98-4]
Ethyl 3-formyl-1H-indole-7-carboxylate
[84639-06-5]
Ethyl 7-(benzyloxy)-1H-indole-2-carboxylate

GHS Hazard Statement:	H315 (97.62%): 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:	205
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.063328530
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	175.063328530
Rotatable Bond Count:	2
Topological Polar Surface Area:	42.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5