1H-Pyrrolo[2,3-b]pyridine-4-carboxaldehyde supplier

Name
7-AZAINDOLE-4-CARBOXALDEHYDE
EINECS
CAS No. 728034-12-6
Article Data3
CAS DataBase
Density 1.369 g/cm³
Solubility
Melting Point
Formula C₈H₆N₂O
Boiling Point
Molecular Weight 146.148
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 7-AZAINDOLE-4-CARBOXALDEHYDE;1H-Pyrrolo[2,3-b]pyridine-4-carboxaldehyde (9CI);1H-Pyrrolo[2,3-b]pyridine-4-carboxaldehyde;1H-pyrrolo[2,3-b]pyridine-4-carbaldehyde;7-azaindole-4-carbaldehyde;7-Azaindole-4-carbaldehyd...
PSA 45.75000
LogP 1.37540

1H-Pyrrolo[2,3-b]pyridine-4-carboxaldehyde Specification

The 1H-Pyrrolo[2,3-b]pyridine-4-carboxaldehyde, with the CAS registry number 728034-12-6, is also known as 7-Azaindole-4-carboxaldehyde. It belongs to the product categories of Pyridine; Aldehyde. This chemical's molecular formula is C₈H₆N₂O and molecular weight is 146.146.

Physical properties about 1H-Pyrrolo[2,3-b]pyridine-4-carboxaldehyde are: (1)ACD/LogP: 1.02; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 113; (8)ACD/KOC (pH 7.4): 113; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 45.75Å²; (13)Index of Refraction: 1.747; (14)Molar Refractivity: 43.373 cm³; (15)Molar Volume: 106.761 cm³; (16)Polarizability: 17.194×10^-24 cm³; (17)Surface Tension: 71.011 dyne/cm; (18)Density: 1.369 g/cm³.

You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1ccnc2nccc12
(2) InChI: InChI=1/C8H6N2O/c11-5-6-1-3-9-8-7(6)2-4-10-8/h1-5H,(H,9,10)
(3) InChIKey: IEPOMBHPYZJZNR-UHFFFAOYAQ

Product Name

7-AZAINDOLE-4-CARBOXALDEHYDE

1H-Pyrrolo[2,3-b]pyridine-4-carboxaldehyde Specification

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