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

Name
1H-Pyrrolo[2,3-b]pyridine-2-carboxaldehyde (9CI)
EINECS
CAS No. 394223-03-1
Article Data9
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 1H-Pyrrolo[2,3-b]pyridin-2-carbaldehyd;
PSA 45.75000
LogP 1.37540

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

The 1H-Pyrrolo[2,3-b]pyridine-2-carboxaldehyde with the CAS number 394223-03-1 is also called 1H-Pyrrolo[2,3-b]pyridin-2-carbaldehyd. Its molecular formula is C₈H₆N₂O. This chemical belongs to the following product categories: (1)pyridine; (2)aldehyde.

The properties of the chemical are: (1)ACD/LogP: 1.69; (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): 111; (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: 45.75 Å²; (13)Index of Refraction: 1.747; (14)Molar Refractivity: 43.373 cm³; (15)Molar Volume: 106.761 cm³; (16)Polarizability: 17.194×10^-24cm³; (17)Surface Tension: 71.011 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1cc2cccnc2n1
(2)InChI: InChI=1/C8H6N2O/c11-5-7-4-6-2-1-3-9-8(6)10-7/h1-5H,(H,9,10)
(3)InChIKey: ATTNRYFIYJHUOG-UHFFFAOYAO

Product Name

1H-Pyrrolo[2,3-b]pyridine-2-carboxaldehyde (9CI)

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

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