Name: 1H-Pyrrolo[2,3-b]pyridine, 4-chloro-2-iodo-
SKU: 940948-29-8

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Basic Information

Molecular Structure:
CAS No.:	940948-29-8
Name:	1H-Pyrrolo[2,3-b]pyridine, 4-chloro-2-iodo-
Article Data:	4

Formula:	C₇H₄ClIN₂
Molecular Weight:	278.48
Synonyms:	4-Chlor-2-iod-1H-pyrrolo[2,3-b]pyridin;4-Chloro-2-iodo-1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-b]pyridine, 4-chloro-2-iodo-;
Density:	2.156 g/cm³
Boiling Point:	374 °C at 760 mmHg
Flash Point:	180 °C
Risk Codes:	41
Safety:	26-39
PSA:	28.68000
LogP:	2.82090

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Specification

The 4-Chloro-2-iodo-1H-pyrrolo[2,3-b]pyridine, with CAS registry number 940948-29-8, has the systematic name of 4-chloro-2-iodo-1H-pyrrolo[2,3-b]pyridine. Besides this, it is also called 1H-pyrrolo[2,3-b]pyridine, 4-chloro-2-iodo-. And the chemical formula of this chemical is C₇H₄ClIN₂.

Physical properties of 4-Chloro-2-iodo-1H-pyrrolo[2,3-b]pyridine: (1)ACD/LogP: 3.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.55; (4)ACD/LogD (pH 7.4): 3.55; (5)#H bond acceptors: 2; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 28.68 Å²; (9)Index of Refraction: 1.784; (10)Molar Refractivity: 54.42 cm³; (11)Molar Volume: 129.1 cm³; (12)Polarizability: 21.57×10^-24cm³; (13)Surface Tension: 72.1 dyne/cm; (14)Enthalpy of Vaporization: 59.7 kJ/mol; (15)Vapour Pressure: 1.85E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cnc2c(c1Cl)cc([nH]2)I
(2)InChI: InChI=1/C7H4ClIN2/c8-5-1-2-10-7-4(5)3-6(9)11-7/h1-3H,(H,10,11)
(3)InChIKey: PNYLOXIZBXVOPD-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C7H4ClIN2/c8-5-1-2-10-7-4(5)3-6(9)11-7/h1-3H,(H,10,11)
(5)Std. InChIKey: PNYLOXIZBXVOPD-UHFFFAOYSA-N