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Cas Database |
| Name |
1H-Pyrrolo[2,3-b]pyridin-4-ol |
EINECS | 1533716-785-6 |
| CAS No. | 74420-02-3 | Density | 1.434 g/cm3 |
| PSA | 48.91000 | LogP | 1.26850 |
| Solubility | N/A | Melting Point |
238-239 °C (decomp) |
| Formula | C7H6N2O | Boiling Point | 367.6±42.0 °C(Predicted) |
| Molecular Weight | 134.137 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | 24/25 | Risk Codes | 22 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
1,7-Dideazahypoxanthine;4-Hydroxy-7-azaindole; |
Article Data | 2 |
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
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