1H-Pyrrolo[2,3-b]pyridine-5-methanol supplier

Name
(1H-PYRROLO[2,3-B]PYRIDIN-5-YL)-METHANOL
EINECS
CAS No. 849067-97-6
Article Data3
CAS DataBase
Density 1.36 g/cm³
Solubility
Melting Point 126-127 °C
Formula C₈H₈N₂O
Boiling Point
Molecular Weight 148.1619
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 5-Hydroxymethyl-7-azaindole;
PSA 48.91000
LogP 1.05520

1H-Pyrrolo[2,3-b]pyridine-5-methanol Specification

The 1H-Pyrrolo[2,3-b]pyridine-5-methanol, with the CAS registry number 849067-97-6, is also known as 5-Hydroxymethyl-7-azaindole. This chemical's molecular formula is C₈H₈N₂O and molecular weight is 148.1619. What's more, its systematic name is called 1H-Pyrrolo[2,3-b]pyridin-5-ylmethanol.

Physical properties about 1H-Pyrrolo[2,3-b]pyridine-5-methanol are: (1)ACD/LogP: 0.64; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.52; (4)ACD/LogD (pH 7.4): 0.63; (5)ACD/BCF (pH 5.5): 1.38; (6)ACD/BCF (pH 7.4): 1.79; (7)ACD/KOC (pH 5.5): 40.62; (8)ACD/KOC (pH 7.4): 52.66; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 48.91Å²; (13)Index of Refraction: 1.721; (14)Molar Refractivity: 43.07 cm³; (15)Molar Volume: 108.9 cm³; (16)Polarizability: 17.07×10^-24 cm³; (17)Surface Tension: 73 dyne/cm; (18)Density: 1.36 g/cm³; (19)Melting Point: 126-127 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OCc1cc2ccnc2nc1
(2) InChI: InChI=1/C8H8N2O/c11-5-6-3-7-1-2-9-8(7)10-4-6/h1-4,11H,5H2,(H,9,10)
(3) InChIKey: HECHZAPQJASYJL-UHFFFAOYAO

Product Name

(1H-PYRROLO[2,3-B]PYRIDIN-5-YL)-METHANOL

1H-Pyrrolo[2,3-b]pyridine-5-methanol Specification

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