-
Name
METHYL 4-METHOXY-5-AZAINDOLE-2-CARBOXYLATE
- EINECS
- CAS No. 871583-16-3
- Article Data4
- CAS DataBase
- Density 1.313 g/cm3
- Solubility
- Melting Point 172-174 °C (decomp)
- Formula C10H10N2O3
- Boiling Point 375.189 °C at 760 mmHg
- Molecular Weight 206.201
- Flash Point 180.708 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid, 4-methoxy-, methyl ester;4-Methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid methyl ester;Methyl 4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxylate;Methyl-4-methoxy-1H-pyrrolo[3,2-c]pyridin-2-carboxylat;
- PSA 64.21000
- LogP 1.35810
1H-Pyrrolo[3,2-c]pyridine-2-carboxylicacid, 4-methoxy-, methyl ester Specification
The 1H-Pyrrolo[3,2-c]pyridine-2-carboxylicacid, 4-methoxy-, methyl ester, with the CAS registry number 871583-16-3, has the systematic name of methyl 4-methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxylate. It is also called 4-Methoxy-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid methyl ester. And the molecular formula of this chemical is C10H10N2O3.
The physical properties of 1H-Pyrrolo[3,2-c]pyridine-2-carboxylicacid, 4-methoxy-, methyl ester are as following: (1)ACD/LogP: 1.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 1.336; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 4.357; (6)ACD/KOC (pH 5.5): 1.957; (7)ACD/KOC (pH 7.4): 66.985; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 64.21 Å2; (12)Index of Refraction: 1.619; (13)Molar Refractivity: 55.072 cm3; (14)Molar Volume: 156.99 cm3; (15)Polarizability: 21.832×10-24cm3; (16)Surface Tension: 54.411 dyne/cm; (17)Density: 1.313 g/cm3; (18)Flash Point: 180.708 °C; (19)Enthalpy of Vaporization: 62.267 kJ/mol; (20)Boiling Point: 375.189 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: COc1c2cc([nH]c2ccn1)C(=O)OC
(2)InChI: InChI=1/C10H10N2O3/c1-14-9-6-5-8(10(13)15-2)12-7(6)3-4-11-9/h3-5,12H,1-2H3
(3)InChIKey: FTKKYZOTROHAOV-UHFFFAOYAW
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