(6-(3-((tert-Butyldimethylsilyloxy)methyl)pyrrolidin-1-yl)-2-fluoropyridin-3-yl)methanol , CAS No.1228665-50-6

CAS: 1228665-50-6 Cat. No.: t166609 Molecular Weight: 340.51 PubChem CID: 46318072

Synonyms

AKOS015837842 | (6-(3-((TERT-BUTYLDIMETHYLSILYLOXY)METHYL)-PYRROLIDIN-1-YL)-2-FLUOROPYRIDIN-3-YL)METHANOL | {6-[3-(tert-Butyldimethylsilyloxymethyl)pyrrolidin-1-yl]-2-fluoropyridin-3-yl}methanol | DTXSID10673562 | (6-(3-(((tert-Butyldimethylsilyl)oxy)meth

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

AKOS015837842 | (6-(3-((TERT-BUTYLDIMETHYLSILYLOXY)METHYL)-PYRROLIDIN-1-YL)-2-FLUOROPYRIDIN-3-YL)METHANOL | {6-[3-(tert-Butyldimethylsilyloxymethyl)pyrrolidin-1-yl]-2-fluoropyridin-3-yl}methanol | DTXSID10673562 | (6-(3-(((tert-Butyldimethylsilyl)oxy)meth

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Canonical Smiles: CC(C)(C)[Si](C)(C)OCC1CCN(C1)C2=NC(=C(C=C2)CO)F
• IUPAC Name: [6-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-1-yl]-2-fluoropyridin-3-yl]methanol
• InChIKey: JQQKGDLNCOVUEI-UHFFFAOYSA-N
• INCHI: 1S/C17H29FN2O2Si/c1-17(2,3)23(4,5)22-12-13-8-9-20(10-13)15-7-6-14(11-21)16(18)19-15/h6-7,13,21H,8-12H2,1-5H3
• Isomeric SMILES: CC(C)(C)[Si](C)(C)OCC1CCN(C1)C2=NC(=C(C=C2)CO)F
• PubChem CID: 46318072
• Molecular Weight: 340.51

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Tertiary alkylarylamines
            • Level7 Dialkylarylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Tertiary amines - Tertiary alkylarylamines
• Direct Parent: Dialkylarylamines
• Alternative Parents: Aminopyridines and derivatives 2-halopyridines Imidolactams Aryl fluorides Trialkylheterosilanes Pyrrolidines Heteroaromatic compounds Silyl ethers Organic metalloid salts Azacyclic compounds Primary alcohols Organofluorides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Dialkylarylamine - Aminopyridine - 2-halopyridine - Aryl fluoride - Imidolactam - Aryl halide - Pyridine - Trialkylheterosilane - Heteroaromatic compound - Pyrrolidine - Silyl ether - Organoheterosilane - Azacycle - Organic metalloid salt - Organoheterocyclic compound - Alcohol - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organofluoride - Organic metalloid moeity - Organohalogen compound - Organosilicon compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic group.
• 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: 340.500 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 340.198 Da
• Monoisotopic Mass: 340.198 Da
• Topological Polar Surface Area: 45.600 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 389.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

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