6-Cyano-7-azaindole supplier | CasNO.189882-33-5

Name
1H-PYRROLO[2,3-B]PYRIDINE-6-CARBONITRILE
EINECS 251-156-6
CAS No. 189882-33-5
Article Data13
CAS DataBase
Density 1.34 g/cm³
Solubility
Melting Point 187.4 °C
Formula C₈H₅N₃
Boiling Point 373.2 °C at 760 mmHg
Molecular Weight 143.148
Flash Point 127.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-Cyano-1H-pyrrolo[2,3-b]pyridine;
PSA 52.47000
LogP 1.43458

6-Cyano-7-azaindole Specification

The IUPAC name of 6-Cyano-7-azaindole is 1H-Pyrrolo[2,3-b]pyridine-6-carbonitrile. With the CAS registry number 189882-33-5, it is also named as 6-Cyano-1H-pyrrolo[2,3-b]pyridine. The product's category is Pyridine. In addition, its molecular formula is C₈H₅N₃ and its molecular weight is 143.14.

The other characteristics of 6-Cyano-7-azaindole can be summarized as: (1)ACD/LogP: 1.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 25; (6)ACD/BCF (pH 7.4): 25; (7)ACD/KOC (pH 5.5): 346; (8)ACD/KOC (pH 7.4): 346; (9)H bond acceptors: 3; (10)H bond donors: 1; (11)Freely Rotating Bonds: 0; (12)Polar Surface Area: 52.47 Å²; (13)Index of Refraction: 1.685; (14)Molar Refractivity: 40.601 cm³; (15)Molar Volume: 106.854 cm³; (16)Polarizability: 16.095×10^-24cm³; (17)Surface Tension: 75.365 dyne/cm; (18)Density: 1.34 g/cm³; (19)Flash Point: 127.338 °C; (20)Enthalpy of Vaporization: 62.04 kJ/mol; (21)Boiling Point: 373.169 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:N#Cc1nc2c(cc1)ccn2
(2)InChI:InChI=1/C8H5N3/c9-5-7-2-1-6-3-4-10-8(6)11-7/h1-4H,(H,10,11)
(3)InChIKey:GAFBPZMOMITHLG-UHFFFAOYAU
(4)Std. InChI:InChI=1S/C8H5N3/c9-5-7-2-1-6-3-4-10-8(6)11-7/h1-4H,(H,10,11)
(5)Std. InChIKey:GAFBPZMOMITHLG-UHFFFAOYSA-N

Product Name

1H-PYRROLO[2,3-B]PYRIDINE-6-CARBONITRILE

6-Cyano-7-azaindole Specification

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