[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-5-yl]methanol - ≥97% , CAS No.1799327-42-6

CAS: 1799327-42-6 Cat. No.: D630503 Molecular Weight: 286.34 EC Number: 871-826-4 PubChem CID: 118169681

GRADE & PURITY ≥97%

Synonyms

P20376 | AS-84567 | 1H-Pyrrolo[3,2-b]pyridine-5-methanol, 6-[(4-fluorophenyl)methyl]-2,3-dihydro-3,3-dimethyl- | DTXSID001122059 | MFCD31925649 | TQR0885 | {6-[(4-fluorophenyl)methyl]-3,3-dimethyl-1H,2H,3H-pyrrolo[3,2-b]pyridin-5-yl}methanol | [6-[(4-fluo

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

P20376 | AS-84567 | 1H-Pyrrolo[3, 2-b]pyridine-5-methanol, 6-[(4-fluorophenyl)methyl]-2, 3-dihydro-3, 3-dimethyl- | DTXSID001122059 | MFCD31925649 | TQR0885 | {6-[(4-fluorophenyl)methyl]-3, 3-dimethyl-1H, 2H, 3H-pyrrolo[3, 2-b]pyridin-5-yl}methanol | [6-[(4-fluo

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC1(CNC2=C1N=C(C(=C2)CC3=CC=C(C=C3)F)CO)C
• IUPAC Name: [6-[(4-fluorophenyl)methyl]-3,3-dimethyl-1,2-dihydropyrrolo[3,2-b]pyridin-5-yl]methanol
• InChIKey: ZYXWNGVEUOLFPW-UHFFFAOYSA-N
• INCHI: 1S/C17H19FN2O/c1-17(2)10-19-14-8-12(15(9-21)20-16(14)17)7-11-3-5-13(18)6-4-11/h3-6,8,19,21H,7,9-10H2,1-2H3
• Isomeric SMILES: CC1(CNC2=C1N=C(C(=C2)CC3=CC=C(C=C3)F)CO)C
• Alternate CAS: 1799327-42-6
• PubChem CID: 118169681
• Molecular Weight: 286.34

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolopyridines
• Alternative Parents: Polyhalopyridines Secondary alkylarylamines Methylpyridines Hydroxypyridines Fluorobenzenes 2-halopyridines Secondary ketimines Pyrrolines Heteroaromatic compounds Vinyl fluorides Propargyl-type 1,3-dipolar organic compounds Fluoroalkenes Dialkylamines Azacyclic compounds Organopnictogen compounds Organofluorides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrrolopyridine - Polyhalopyridine - 2-halopyridine - Methylpyridine - Hydroxypyridine - Secondary aliphatic/aromatic amine - Halobenzene - Fluorobenzene - Benzenoid - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Secondary ketimine - Pyrroline - Ketimine - Azacycle - Fluoroalkene - Haloalkene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Vinyl halide - Vinyl fluoride - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Imine - Amine - Alcohol - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrrolopyridines. These are compounds containing a pyrrolopyridine moiety, which consists of a pyrrole ring fused to a pyridine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyridine is a 6-membered ring consisting of five carbon atoms and one nitrogen center.
• 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