Methyl indole-5-carboxylate - CAS 1011-65-0

Catalog:	BB000456
Product Name:	Methyl indole-5-carboxylate
CAS:	1011-65-0
Synonyms:	methyl 1H-indole-5-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	methyl 1H-indole-5-carboxylate
Description:	Methyl indole-5-carboxylate (CAS# 1011-65-0) is a compound useful in organic synthesis.
Molecular Weight:	175.18
Molecular Formula:	C10H9NO2
Canonical SMILES:	COC(=O)C1=CC2=C(C=C1)NC=C2
InChI:	InChI=1S/C10H9NO2/c1-13-10(12)8-2-3-9-7(6-8)4-5-11-9/h2-6,11H,1H3
InChI Key:	DRYBMFJLYYEOBZ-UHFFFAOYSA-N
Boiling Point:	331.7 °C at 760 mmHg
Purity:	97.0 %
Density:	1.253 g/cm³
MDL:	MFCD00153023
LogP:	1.95450

Publication Number	Title	Priority Date
CN-112574180-A	N-2-pyrimidinyl-3-fluoroindole compound and preparation method and application thereof	20201230
CN-112574180-B	N-2-pyrimidinyl-3-fluoroindole compound and preparation method and application thereof	20201230
CN-112047898-A	Benzo [ c ] [1,2] oxazine skeleton novel compound and preparation method thereof	20201014
CN-112209915-A	Method for air oxidation of N-pyridine indoline compounds	20200908
WO-2021204626-A1	Aryl and heteroaryl-carboxamide substituted heteroaryl compounds as tyk2 inhibitors	20200406

PMID	Publication Date	Title	Journal
15163202	20040603	Generation of new protein kinase inhibitors utilizing cytochrome p450 mutant enzymes for indigoid synthesis	Journal of medicinal chemistry

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Carbonyl Compounds

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[89908-23-6]
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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:	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:	2.6