1-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid - ≥97% , CAS No.1131912-88-3

CAS: 1131912-88-3 Cat. No.: M626942 Molecular Weight: 177.16 EC Number: 846-605-0 PubChem CID: 19436815

GRADE & PURITY ≥97%

Synonyms

P11019 | MFCD11043028 | SY193441 | SCHEMBL4044984 | Z875036244 | AS-50755 | EN300-98643 | 1-Methyl-1H-pyrazolo[3,4-b]-pyridine-5-carboxylic acid | 1-METHYL-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLIC ACID | AKOS011076883 | 1-Methyl-1H-pyrazolo[3,4-b]-pyridine

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

P11019 | MFCD11043028 | SY193441 | SCHEMBL4044984 | Z875036244 | AS-50755 | EN300-98643 | 1-Methyl-1H-pyrazolo[3, 4-b]-pyridine-5-carboxylic acid | 1-METHYL-1H-PYRAZOLO[3, 4-B]PYRIDINE-5-CARBOXYLIC ACID | AKOS011076883 | 1-Methyl-1H-pyrazolo[3, 4-b]-pyridine

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CN1C2=NC=C(C=C2C=N1)C(=O)O
• IUPAC Name: 1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid
• InChIKey: GZBXJRACVPGWTE-UHFFFAOYSA-N
• INCHI: 1S/C8H7N3O2/c1-11-7-5(4-10-11)2-6(3-9-7)8(12)13/h2-4H,1H3,(H,12,13)
• Isomeric SMILES: CN1C2=NC=C(C=C2C=N1)C(=O)O
• Alternate CAS: 1131912-88-3
• PubChem CID: 19436815
• Molecular Weight: 177.16

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrazolopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrazolopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazolopyridines
• Alternative Parents: Pyridinecarboxylic acids Pyrazoles Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrazolopyridine - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Pyridine - Azole - Pyrazole - Heteroaromatic compound - Carboxylic acid - Azacycle - Carboxylic acid derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrazolopyridines. These are compounds containing a pyrazolopyridine skeleton, which consists of a pyrazole fused to a pyridine. Pyrazole is 5-membered ring consisting of three carbon atoms and two adjacent nitrogen centers. Pyridine is a 6-membered ring with four carbon and one nitrogen atoms.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 177.160 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 177.054 Da
• Monoisotopic Mass: 177.054 Da
• Topological Polar Surface Area: 68.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 221.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1