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1138443-83-0

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Basic Information
CAS No.: 1138443-83-0
Name: 3-Iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine
Article Data: 3
Molecular Structure:
Molecular Structure of 1138443-83-0 (3-Iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine)
Formula: C8H7IN2
Molecular Weight: 258.0591
Synonyms: 3-Iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine;3-Iodo-5-Methyl-7-azaindole;1H-pyrrolo[2,3-b]pyridine, 3-iodo-5-Methyl-
Density: 1.934 g/cm3
PSA: 28.68000
LogP: 2.47590
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Specification

The CAS registry number of this chemical is 1138443-83-0. This chemical's molecular formula is C8H7IN2 and molecular weight is 258.0591. What's more, both the product name and systematic name are the same which is called 3-Iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine.

Physical properties about 3-Iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine are: (1)ACD/LogP: 2.96; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.932; (4)ACD/LogD (pH 7.4): 2.957; (5)ACD/BCF (pH 5.5): 98.143; (6)ACD/BCF (pH 7.4): 103.973; (7)ACD/KOC (pH 5.5): 912.361; (8)ACD/KOC (pH 7.4): 966.558; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 28.68 Å2; (13)Index of Refraction: 1.75; (14)Molar Refractivity: 54.352 cm3; (15)Molar Volume: 133.443 cm3; (16)Polarizability: 21.547×10-24 cm3; (17)Surface Tension: 64.461 dyne/cm; (18)Density: 1.934 g/cm3.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1cc2c(c[nH]c2nc1)I
(2) InChI: InChI=1/C8H7IN2/c1-5-2-6-7(9)4-11-8(6)10-3-5/h2-4H,1H3,(H,10,11)
(3) InChIKey: SUTAZURMHGAKLC-UHFFFAOYAG