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CAS No.: | 952182-19-3 |
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Name: | methyl 5-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate |
Molecular Structure: | |
Formula: | C9H7ClN2O2 |
Molecular Weight: | 210.62 |
Synonyms: | methyl 5-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate;Methyl 5-chloro-7-azaindole-2-carboxylate;Methyl 5-chloro-1H-pyrrolo[2;Methyl 5-chloro-1H-pyrrolo[2,3-b]pyridine-2- carbo×ylate;1H-Pyrrolo[2,3-b]pyridine-2-carboxylicacid, 5-chloro-, Methyl ester |
Density: | 1.453 g/cm3 |
PSA: | 54.98000 |
LogP: | 2.00290 |
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The CAS register number of Methyl 5-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate is 952182-19-3. It also can be called as 1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 5-chloro-, methyl ester and the IUPAC name about this chemical is methyl 5-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate. The molecular formula about this chemical is C9H7ClN2O2 and molecular weight is 210.62. It belongs to the Chiral Chemicals.
Physical properties about Methyl 5-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate are: (1)ACD/LogP: 2.88; (2)ACD/LogD (pH 5.5): 2.882; (3)ACD/LogD (pH 7.4): 2.882; (4)ACD/BCF (pH 5.5): 91.262; (5)ACD/BCF (pH 7.4): 91.247; (6)ACD/KOC (pH 5.5): 880.583; (7)ACD/KOC (pH 7.4): 880.44; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 54.98Å2; (12)Index of Refraction: 1.657; (13)Molar Refractivity: 53.288 cm3; (14)Molar Volume: 144.939 cm3; (15)Polarizability: 21.125x10-24cm3; (16)Surface Tension: 61.313 dyne/cm.
You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)c1cc2cc(cnc2[nH]1)Cl
(2)InChI: InChI=1/C9H7ClN2O2/c1-14-9(13)7-3-5-2-6(10)4-11-8(5)12-7/h2-4H,1H3,(H,11,12)
(3)InChIKey: OMFINIKIHUOPAQ-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C9H7ClN2O2/c1-14-9(13)7-3-5-2-6(10)4-11-8(5)12-7/h2-4H,1H3,(H,11,12)
(5)Std. InChIKey: OMFINIKIHUOPAQ-UHFFFAOYSA-N