1H-Indole-7-carboxylic acid

The IUPAC name of this chemical is 1H-indole-7-carboxylic acid. With the CAS registry number 1670-83-3, it is also named as 7-Indolecarboxylic acid. The product's categories are Blocks; Carboxes; Indoles Oxindoles; Indoles and Derivatives; Carboxylic Acids; Pyrroles & Indoles; Indole; Carboxylic Acids; Pyrroles & Indoles. It is almost white crystal.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.25; (4)ACD/LogD (pH 7.4): -1.16; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.22; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.725; (13)Molar Refractivity: 45.45 cm³; (14)Molar Volume: 114.4 cm³; (15)Polarizability: 18.02×10^-24 cm³; (16)Surface Tension: 71.6 dyne/cm; (17)Enthalpy of Vaporization: 70.99 kJ/mol; (18)Vapour Pressure: 8.6E-08 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Tautomer Count: 4; (21)Exact Mass: 161.047678; (22)MonoIsotopic Mass: 161.047678; (23)Topological Polar Surface Area: 53.1; (24)Heavy Atom Count: 12; (25)Complexity: 193.

Preparation of 1H-Indole-7-carboxylic acid: It can be obtianed by 2,3-dihydro-indole-7-carboxylic acid. This reaction needs reagent 10percent Pd/C and solvent xylene by heating. The reaction time is 4.0 hours. The yield is 52%.

Uses of 1H-Indole-7-carboxylic acid: It is used in organic synthesis. For example: it can react with 3-(N-ethylamino)-2-(1-πperazinyl)pyridine to get [4-(3-ethylamino-pyridin-2-yl)-πperazin-1-yl]-(1H-indol-7-yl)-methanone. This reaction needs reagent NaCNBH₄ and solvent methanol at ambient temperature. The yield is 97%. 

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin, so people should avoid contact with skin and eyes.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(O)c1cccc2c1ncc2
2. InChI:InChI=1/C9H7NO2/c11-9(12)7-3-1-2-6-4-5-10-8(6)7/h1-5,10H,(H,11,12) 
3. InChIKey:IPDOBVFESNNYEE-UHFFFAOYAO