2-Chloro-4-iodo-3-pyridinemethanol - ≥97% , CAS No.884494-44-4

CAS: 884494-44-4 Cat. No.: C469807 Molecular Weight: 269.47 EC Number: 677-248-7

GRADE & PURITY ≥97%

Synonyms

GEO-03684 | 2-Chloro-4-iodo-3-pyridinemethanol | (2-Chloro-4-iodopyridin-3-yl)methanol, AldrichCPR | AKOS015851140 | AS-40621 | (2-Chloro-4-iodopyridin-3-yl)methanol | BZQRQPAKTCMYIA-UHFFFAOYSA-N | 2-CHLORO-3-(HYDROXYMETHYL)-4-IODOPYRIDINE | MFCD03095296

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Synonyms

GEO-03684 | 2-Chloro-4-iodo-3-pyridinemethanol | (2-Chloro-4-iodopyridin-3-yl)methanol, AldrichCPR | AKOS015851140 | AS-40621 | (2-Chloro-4-iodopyridin-3-yl)methanol | BZQRQPAKTCMYIA-UHFFFAOYSA-N | 2-CHLORO-3-(HYDROXYMETHYL)-4-IODOPYRIDINE | MFCD03095296

Specifications & Purity

≥97%

Storage

Protected from light, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488200870
• Canonical Smiles: C1=CN=C(C(=C1I)CO)Cl
• IUPAC Name: (2-chloro-4-iodopyridin-3-yl)methanol
• InChIKey: BZQRQPAKTCMYIA-UHFFFAOYSA-N
• INCHI: 1S/C6H5ClINO/c7-6-4(3-10)5(8)1-2-9-6/h1-2,10H,3H2
• Isomeric SMILES: C1=CN=C(C(=C1I)CO)Cl
• Molecular Weight: 269.47
• Reaxy-Rn: 21821706
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21821706&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Halopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Halopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Polyhalopyridines
• Alternative Parents: 2-halopyridines Aryl iodides Aryl chlorides Heteroaromatic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organoiodides Organochlorides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polyhalopyridine - 2-halopyridine - Aryl chloride - Aryl halide - Aryl iodide - Heteroaromatic compound - Azacycle - Alcohol - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organoiodide - Organochloride - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as polyhalopyridines. These are organic compounds containing a pyridine ring substituted at two or more positions by a halogen atom.
• 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

• Sensitivity: Light sensitive
• Molecular Weight: 269.470 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 268.91 Da
• Monoisotopic Mass: 268.91 Da
• Topological Polar Surface Area: 33.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 114.000
• 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