Product Name

  • Name

    1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 1-methyl- (9CI)

  • EINECS 604-604-1
  • CAS No. 171919-36-1
  • Article Data15
  • CAS DataBase
  • Density 1.21 g/cm3
  • Solubility
  • Melting Point
  • Formula C9H8N2O
  • Boiling Point 334.8 °C at 760 mmHg
  • Molecular Weight 160.17262
  • Flash Point 156.3 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 171919-36-1 (1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 1-methyl- (9CI))
  • Hazard Symbols
  • Synonyms 1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 1-methyl- (9CI);1-Methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxaldehyde;1-Methy-1H-Pyrrolo[2,3-b]pyridine-3-carbaldehyde
  • PSA 34.89000
  • LogP 1.38580

1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde Specification

The 1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde, with CAS registry number 171919-36-1, belongs to the following product category: Aldehyde. It has the systematic name of 1-methyl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde. And the chemical formula of this chemical is C9H8N2O.

Physical properties of 1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde: (1)ACD/LogP: 0.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.44; (4)ACD/LogD (pH 7.4): 0.45; (5)ACD/BCF (pH 5.5): 1.26; (6)ACD/BCF (pH 7.4): 1.29; (7)ACD/KOC (pH 5.5): 40.85; (8)ACD/KOC (pH 7.4): 41.65; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 34.89 Å2; (13)Index of Refraction: 1.622; (14)Molar Refractivity: 46.59 cm3; (15)Molar Volume: 132.2 cm3; (16)Polarizability: 18.47×10-24cm3; (17)Surface Tension: 45.9 dyne/cm; (18)Density: 1.21 g/cm3; (19)Flash Point: 156.3 °C; (20)Enthalpy of Vaporization: 57.78 kJ/mol; (21)Boiling Point: 334.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000125 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc2c1cccnc1n(c2)C
(2)InChI: InChI=1/C9H8N2O/c1-11-5-7(6-12)8-3-2-4-10-9(8)11/h2-6H,1H3
(3)InChIKey: IZPRBMBNUDLUMD-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C9H8N2O/c1-11-5-7(6-12)8-3-2-4-10-9(8)11/h2-6H,1H3
(5)Std. InChIKey: IZPRBMBNUDLUMD-UHFFFAOYSA-N

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