Product Name

  • Name

    2-Pyridinecarboxaldehyde, 5-(1-methylethyl)- (9CI)

  • EINECS
  • CAS No. 137013-14-0
  • Density 1.033 g/cm3
  • Solubility
  • Melting Point
  • Formula C9H11NO
  • Boiling Point 252.356 °C at 760 mmHg
  • Molecular Weight 149.19
  • Flash Point 112.988 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 137013-14-0 (2-Pyridinecarboxaldehyde, 5-(1-methylethyl)- (9CI))
  • Hazard Symbols
  • Synonyms 2-Pyridinecarboxaldehyde, 5-(1-methylethyl)- (9CI);2-Formyl-5-isopropylpyridine;5-Isopropylpyridine-2-carboxaldehyde;5-isopropylpicolin Aldehyde;5-isopropylpicolin
  • PSA 29.96000
  • LogP 2.01750

5-Isopropylpyridine-2-carboxaldehyde Specification

The 5-Isopropylpyridine-2-carboxaldehyde is an organic compound with the formula C9H11NO. The systematic name of this chemical is 5-isopropylpyridine-2-carbaldehyde. With the CAS registry number 137013-14-0, it is also named as 2-Pyridinecarboxaldehyde, 5-(1-methylethyl)- (9CI). The product's categories are Aldehyde; Pyridine.

Physical properties about 5-Isopropylpyridine-2-carboxaldehyde are: (1)ACD/LogP: 2.11; (2)ACD/LogD (pH 5.5): 2.1; (3)ACD/LogD (pH 7.4): 2.112; (4)ACD/BCF (pH 5.5): 23.055; (5)ACD/BCF (pH 7.4): 23.702; (6)ACD/KOC (pH 5.5): 326.311; (7)ACD/KOC (pH 7.4): 335.459; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 29.96 Å2; (11)Index of Refraction: 1.54; (12)Molar Refractivity: 45.282 cm3; (13)Molar Volume: 144.396 cm3; (14)Polarizability: 17.951×10-24cm3; (15)Surface Tension: 39.294 dyne/cm; (16)Density: 1.033 g/cm3; (17)Flash Point: 112.988 °C; (18)Enthalpy of Vaporization: 48.97 kJ/mol; (19)Boiling Point: 252.356 °C at 760 mmHg; (20)Vapour Pressure: 0.019 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)c1ccc(nc1)C=O
(2)InChI: InChI=1/C9H11NO/c1-7(2)8-3-4-9(6-11)10-5-8/h3-7H,1-2H3
(3)InChIKey: ZMIPJSJRIRWJBY-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C9H11NO/c1-7(2)8-3-4-9(6-11)10-5-8/h3-7H,1-2H3
(5)Std. InChIKey: ZMIPJSJRIRWJBY-UHFFFAOYSA-N

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