CAS No.351439-07-1,Mehyl-7-Azaindole-4-Carboxylate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	351439-07-1
Name:	Mehyl-7-Azaindole-4-Carboxylate
Article Data:	3

Formula:	C₉H₈N₂O₂
Molecular Weight:	176.175
Synonyms:	Methyl-1H-pyrrolo[2,3-b]pyridin-4-carboxylat;7-Azaindole-4-carboxlic acid methyl ester;Methyl azaindolecarboxylate;AC1Q42V9;AG-F-21066;
Density:	1.324 g/cm³
Hazard Symbols:	Xi
Risk Codes:	25
Safety:	45
PSA:	54.98000
LogP:	1.34950

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Specification

The 1H-Pyrrolo[2,3-b]pyridine-4-carboxylicacid, methyl ester with CAS registry number of 351439-07-1 is also known as Mehyl-7-Azaindole-4-Carboxylate. The IUPAC name is Methyl 1H-pyrrolo[2,3-b]pyridine-4-carboxylate. In addition, the formula is C₉H₈N₂O₂ and the molecular weight is 176.17. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about 1H-Pyrrolo[2,3-b]pyridine-4-carboxylicacid, methyl ester are: (1)ACD/LogP: 2.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.03; (4)ACD/LogD (pH 7.4): 2.03; (5)ACD/BCF (pH 5.5): 20.49; (6)ACD/BCF (pH 7.4): 20.5; (7)ACD/KOC (pH 5.5): 302.25; (8)ACD/KOC (pH 7.4): 302.4; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.648; (13)Molar Refractivity: 48.39 cm³; (14)Molar Volume: 132.9 cm³; (15)Surface Tension: 59.7 dyne/cm; (16)Density: 1.324 g/cm³.

You can still convert the following datas into molecular structure:
1. SMILES:COC(=O)c1ccnc2nccc12
2. InChI:InChI=1/C9H8N2O2/c1-13-9(12)7-3-5-11-8-6(7)2-4-10-8/h2-5H,1H3,(H,10,11)
3. InChIKey:XOGBBTNEIKWLPQ-UHFFFAOYAK
4. Std. InChI:InChI=1S/C9H8N2O2/c1-13-9(12)7-3-5-11-8-6(7)2-4-10-8/h2-5H,1H3,(H,10,11)
5. Std. InChIKey:XOGBBTNEIKWLPQ-UHFFFAOYSA-N