4,6-Dimethyl-1H-indole-2-carboxylic Acid - CAS 383132-27-2

Catalog:	BB023630
Product Name:	4,6-Dimethyl-1H-indole-2-carboxylic Acid
CAS:	383132-27-2
Synonyms:	4,6-dimethyl-1H-indole-2-carboxylic acid; 4,6-dimethyl-1H-indole-2-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4,6-dimethyl-1H-indole-2-carboxylic acid
Description:	4,6-Dimethyl-1H-indole-2-carboxylic Acid (CAS# 383132-27-2) is a useful research chemical.
Molecular Weight:	189.21
Molecular Formula:	C11H11NO2
Canonical SMILES:	CC1=CC(=C2C=C(NC2=C1)C(=O)O)C
InChI:	InChI=1S/C11H11NO2/c1-6-3-7(2)8-5-10(11(13)14)12-9(8)4-6/h3-5,12H,1-2H3,(H,13,14)
InChI Key:	HRHYVQGVACIBPS-UHFFFAOYSA-N
Boiling Point:	415.6 °C at 760 mmHg
Density:	1.287 g/cm³
MDL:	MFCD02664431
LogP:	2.48290

Publication Number	Title	Priority Date
WO-2021062319-A1	Indole carboxamide compounds and use thereof for the treatment of mycobacterial infections	20190926
AU-2018361364-A1	Novel, highly active amino-thiazole substituted indole-2-carboxamides active against the hepatitis B virus (HBV)	20171102
TW-201930315-A	Novel highly active amino-thiazole-substituted guanidino-2-carboxamide with anti-hepatitis B virus (HBV) activity	20171102
WO-2019086141-A1	Novel, highly active amino-thiazole substituted indole-2-carboxamides active against the hepatitis b virus (hbv)	20171102
AU-2018361364-B2	Novel, highly active amino-thiazole substituted indole-2-carboxamides active against the hepatitis B virus (HBV)	20171102

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Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

GHS Hazard Statement:	H303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral]
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:	241
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.078978594
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	189.078978594
Rotatable Bond Count:	1
Topological Polar Surface Area:	53.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6