4-Bromo-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde supplier

Name
4-Bromo-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
EINECS
CAS No. 1000340-35-1
Article Data3
CAS DataBase
Density 1.83 g/cm³
Solubility
Melting Point
Formula C₈H₅BrN₂O
Boiling Point 416.668 °C at 760 mmHg
Molecular Weight 225.0421
Flash Point 205.794 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 4-bromo-;
PSA 45.75000
LogP 2.13790

4-Bromo-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde Specification

Systematic name of this chemical is 4-Bromo-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde and its CAS registry number is 1000340-35-1. This chemical is also known as 1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 4-bromo-. Its molecular formula is C₈H₅BrN₂O and molecular weight is 225.0421.

Physical properties about the 4-Bromo-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde are: (1)ACD/LogP: 2.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.118; (4)ACD/LogD (pH 7.4): 2.121; (5)ACD/BCF (pH 5.5): 23.907; (6)ACD/BCF (pH 7.4): 24.109; (7)ACD/KOC (pH 5.5): 336.75; (8)ACD/KOC (pH 7.4): 339.59; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.75 Å²; (13)Index of Refraction: 1.769; (14)Molar Refractivity: 51.063 cm³; (15)Molar Volume: 122.946 cm³; (16)Surface Tension: 73.848 dyne/cm; (17)Density: 1.83 g/cm³; (18)Flash Point: 205.794 °C; (19)Enthalpy of Vaporization: 66.994 kJ/mol; (20)Boiling Point: 416.668 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cnc2c(c1Br)c(c[nH]2)C=O
(2) InChI: InChI=1/C8H5BrN2O/c9-6-1-2-10-8-7(6)5(4-12)3-11-8/h1-4H,(H,10,11)
(3) InChIKey: GVJOYNDJFISGTG-UHFFFAOYAK

Product Name

4-Bromo-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde

4-Bromo-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde Specification

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