-
Name
methyl 5-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
- EINECS
- CAS No. 952182-19-3
- Density 1.453 g/cm3
- Solubility
- Melting Point
- Formula C9H7ClN2O2
- Boiling Point
- Molecular Weight 210.62
- Flash Point
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- 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
- PSA 54.98000
- LogP 2.00290
Methyl 5-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate Specification
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
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