Cas no 1256821-40-5 (3-methyl-5-phenylpicolinic acid)

3-methyl-5-phenylpicolinic acid structure
1256821-40-5 structure
Product Name:3-methyl-5-phenylpicolinic acid
CAS No:1256821-40-5
MF:C13H11NO2
MW:213.231943368912
CID:2113730
Update Time:2023-11-19

3-methyl-5-phenylpicolinic acid Chemical and Physical Properties

Names and Identifiers

    • 3-methyl-5-phenylpicolinic acid
    • CID 121003957
    • 2-Pyridinecarboxylic acid, 3-methyl-5-phenyl-
    • Inchi: 1S/C13H11NO2/c1-9-7-11(8-14-12(9)13(15)16)10-5-3-2-4-6-10/h2-8H,1H3,(H,15,16)
    • InChI Key: ZAAQLIZYWUIJSM-UHFFFAOYSA-N
    • SMILES: OC(C1C(C)=CC(=CN=1)C1C=CC=CC=1)=O

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 248
  • Topological Polar Surface Area: 50.2

Experimental Properties

  • Density: 1.206±0.06 g/cm3(Predicted)
  • Boiling Point: 396.8±30.0 °C(Predicted)
  • pka: 1.06±0.50(Predicted)
Recommended suppliers
Jiangxi Boyang Pharmaceutical Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jiangxi Boyang Pharmaceutical Chemical Co., Ltd
Zouping Mingyuan Import and Export Trading Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Zouping Mingyuan Import and Export Trading Co., Ltd
Xiamen PinR Bio-tech Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Xiamen PinR Bio-tech Co., Ltd.
Zhejiang Brunova Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Zhejiang Brunova Technology Co., Ltd.
Henan Dongyan Pharmaceutical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Henan Dongyan Pharmaceutical Co., Ltd