1H-Pyrrolo[3,2-b]pyridine-6-carboxylic acid, methyl ester supplier

Name
METHYL1H-PYRROLO[3,2-B]PYRIDINE-6-CARBOXYLATE
EINECS
CAS No. 1015609-11-6
Density 1.325 g/cm³
Solubility
Melting Point
Formula C₉H₈N₂O₂
Boiling Point 322.742 °C at 760 mmHg
Molecular Weight 175.16
Flash Point 148.99 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Methyl 1H-pyrrolo[3,2-b]pyridine-6-carboxylate;4-Azaindole-6-carboxylic acid methyl ester;
PSA 54.98000
LogP 1.34950

1H-Pyrrolo[3,2-b]pyridine-6-carboxylic acid, methyl ester Specification

The 1H-Pyrrolo[3,2-b]pyridine-6-carboxylic acid, methyl ester, with the CAS registry number 1015609-11-6, is also known as 4-Azaindole-6-carboxylic acid methyl ester. This chemical's molecular formula is C₉H₈N₂O₂ and molecular weight is 175.16. What's more, its systematic name is methyl 1H-pyrrolo[3,2-b]pyridine-6-carboxylate.

Physical properties of 1H-Pyrrolo[3,2-b]pyridine-6-carboxylic acid, methyl ester are: (1)ACD/LogP: 0.74; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 54.98 Å²; (7)Index of Refraction: 1.648; (8)Molar Refractivity: 48.393 cm³; (9)Molar Volume: 132.988 cm³; (10)Polarizability: 19.184×10^-24cm³; (11)Surface Tension: 59.729 dyne/cm; (12)Density: 1.325 g/cm³; (13)Flash Point: 148.99 °C; (14)Enthalpy of Vaporization: 56.462 kJ/mol; (15)Boiling Point: 322.742 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1cc2c(nc1)ccn2
(2)InChI: InChI=1S/C9H8N2O2/c1-13-9(12)6-4-8-7(11-5-6)2-3-10-8/h2-5,10H,1H3
(3)InChIKey: JZFTWMGTLMPFEL-UHFFFAOYSA-N

Product Name

METHYL1H-PYRROLO[3,2-B]PYRIDINE-6-CARBOXYLATE

1H-Pyrrolo[3,2-b]pyridine-6-carboxylic acid, methyl ester Specification

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