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145934-81-2

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Basic Information
CAS No.: 145934-81-2
Name: 1H-Pyrrolo[2,3-b]pyridine, 5-chloro-2-methyl-
Molecular Structure:
Molecular Structure of 145934-81-2 (1H-Pyrrolo[2,3-b]pyridine, 5-chloro-2-methyl-)
Formula: C8H7ClN2
Molecular Weight: 166.61
Synonyms: 5-Chlor-2-methyl-1H-pyrrolo[2,3-b]pyridin;
Density: 1.351 g/cm3
Boiling Point: 300.8 °C at 760 mmHg
Flash Point: 164.1 °C
PSA: 28.68000
LogP: 2.52470
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Specification

The CAS registry number of 1H-Pyrrolo[2,3-b]pyridine,5-chloro-2-methyl- is 145934-81-2. This chemical's molecular formula is C8H7ClN2 and molecular weight is 166.6076. What's more, its systematic name is called 5-Chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine.

Physical properties about 1H-Pyrrolo[2,3-b]pyridine,5-chloro-2-methyl- are: (1)ACD/LogP: 3.37; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.37; (4)ACD/LogD (pH 7.4): 3.37; (5)ACD/BCF (pH 5.5): 214.39; (6)ACD/BCF (pH 7.4): 215.14; (7)ACD/KOC (pH 5.5): 1621.22; (8)ACD/KOC (pH 7.4): 1626.9; (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: 1.675; (14)Molar Refractivity: 46.33 cm3; (15)Molar Volume: 123.3 cm3; (16)Polarizability: 18.37×10-24 cm3; (17)Surface Tension: 56.6 dyne/cm; (18)Density: 1.351 g/cm3; (19)Flash Point: 164.1 °C; (20)Enthalpy of Vaporization: 51.93 kJ/mol; (21)Boiling Point: 300.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00196 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc2cc(C)nc2nc1
(2) InChI: InChI=1/C8H7ClN2/c1-5-2-6-3-7(9)4-10-8(6)11-5/h2-4H,1H3,(H,10,11)
(3) InChIKey: NSEANKJGGQKQEJ-UHFFFAOYAN