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101083-92-5

Basic Information
CAS No.: 101083-92-5
Name: 5-NITRO-1H-PYRROLO[2,3-B]PYRIDINE
Article Data: 7
Molecular Structure:
Molecular Structure of 101083-92-5 (5-NITRO-1H-PYRROLO[2,3-B]PYRIDINE)
Formula: C7H5N3O2
Molecular Weight: 163.136
Synonyms: 5-Nitro-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine, 5-nitro-;5-Nitro-1H-pyrrolo[2,3-b]pyridine;
Density: 1.525 g/cm3
Melting Point: 280℃
Boiling Point: 392.8±35.0 °C(Predicted)
PSA: 74.50000
LogP: 1.99430
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Specification

The 5-Nitro-7-azaindole, with the CAS registry number 101083-92-5, is also called 1H-pyrrolo[2,3-b]pyridine, 5-nitro-. It is a kind of organics, and should be stored at dry and cool environment. And the molecular formula of the chemical is C7H5N3O2.

The characteristics of 5-Nitro-7-azaindole are as followings: (1)ACD/LogP: 1.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 10; (6)ACD/BCF (pH 7.4): 10; (7)ACD/KOC (pH 5.5): 176; (8)ACD/KOC (pH 7.4): 176; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 74.5 Å2; (13)Index of Refraction: 1.741; (14)Molar Refractivity: 43.165 cm3; (15)Molar Volume: 106.937 cm3; (16)Polarizability: 17.112×10-24cm3; (17)Surface Tension: 80.528 dyne/cm; (18)Density: 1.525 g/cm3.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: c1c[nH]c2c1cc(cn2)N(=O)=O
(2)InChI: InChI=1/C7H5N3O2/c11-10(12)6-3-5-1-2-8-7(5)9-4-6/h1-4H,(H,8,9)
(3)InChIKey: INMIPMLIYKQQID-UHFFFAOYAN