1H-Pyrrolo[2,3-b]pyridin-4-ol supplier

Name
4-HYDROXY-7-AZAINDOLE
EINECS 1533716-785-6
CAS No. 74420-02-3
Article Data2
CAS DataBase
Density 1.434 g/cm³
Solubility
Melting Point 238-239 °C (decomp)
Formula C₇H₆N₂O
Boiling Point 367.6±42.0 °C(Predicted)
Molecular Weight 134.137
Flash Point
Transport Information
Appearance
Safety 24/25
Risk Codes 22
Molecular Structure
Hazard Symbols Xi
Synonyms 1,7-Dideazahypoxanthine;4-Hydroxy-7-azaindole;
PSA 48.91000
LogP 1.26850

1H-Pyrrolo[2,3-b]pyridin-4-ol Specification

The 1H-Pyrrolo[2,3-b]pyridin-4-ol, with CAS registry number 74420-02-3, has the systematic name of 1H-pyrrolo[2,3-b]pyridin-4-ol.And its IUPAC name is 1,7-dihydropyrrolo[2,3-b]pyridin-4-one. And the chemical formula of this chemical is C₇H₆N₂O.

Physical properties about this chemical are: (1)ACD/LogP: 0.94; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 48.91 Å²; (11)Index of Refraction: 1.76 Molar; (12)Refractivity: 38.501 cm³; (13)Molar Volume: 93.525 cm³; (14)Polarizability: 15.263×10^-24cm³; (15)Surface Tension: 80.191 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c[nH]c2c1c(ccn2)O
(2)InChI: InChI=1/C7H6N2O/c10-6-2-4-9-7-5(6)1-3-8-7/h1-4H,(H2,8,9,10)
(3)InChIKey: IXIGMDXJXKDZOF-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C7H6N2O/c10-6-2-4-9-7-5(6)1-3-8-7/h1-4H,(H2,8,9,10)
(5)Std. InChIKey: IXIGMDXJXKDZOF-UHFFFAOYSA-N

Product Name

4-HYDROXY-7-AZAINDOLE

1H-Pyrrolo[2,3-b]pyridin-4-ol Specification

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