The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser.
For the best experience on our site, be sure to turn on Javascript in your browser.
This is a demo store. No orders will be fulfilled.
We use cookies to keep things working smoothly and to improve your experience.
Choose what’s okay for you below. See our Cookie Policy .
Accept Cookies
(4-Chloro-5-fluoropyridin-2-yl)methanol - 97%, high purity , CAS No.113209-90-8
Basic Description
Synonyms
113209-90-8 | 4-Chloro-5-fluoro-2-pyridinemethanol | (4-chloro-5-fluoropyridin-2-yl)methanol | 2-Pyridinemethanol, 4-chloro-5-fluoro- | MFCD09953777 | 2-Pyridinemethanol,4-chloro-5-fluoro- | SCHEMBL1783170 | DTXSID60599960 | VYGKQYHESCOCGJ-UHFFFAOYSA-N | BCP27063 | 4-Chloro-
Specifications & Purity
≥97%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Halopyridines
Intermediate Tree Nodes
Not available
Direct Parent
Polyhalopyridines
Alternative Parents
Aryl fluorides Aryl chlorides Heteroaromatic compounds Azacyclic compounds Primary alcohols Organonitrogen compounds Organofluorides Organochlorides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Polyhalopyridine - Aryl chloride - Aryl fluoride - Aryl halide - Heteroaromatic compound - Azacycle - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Alcohol - 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.
Names and Identifiers
IUPAC Name
(4-chloro-5-fluoropyridin-2-yl)methanol
INCHI
InChI=1S/C6H5ClFNO/c7-5-1-4(3-10)9-2-6(5)8/h1-2,10H,3H2
InChIKey
VYGKQYHESCOCGJ-UHFFFAOYSA-N
Smiles
C1=C(N=CC(=C1Cl)F)CO
Isomeric SMILES
C1=C(N=CC(=C1Cl)F)CO
Molecular Weight
161.56
Reaxy-Rn
6500256
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6500256&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
161.560 g/mol
XLogP3
0.700
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
161.004 Da
Monoisotopic Mass
161.004 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
Solution Calculators
Molarity Calculator
Determine the necessary mass, volume, or concentration for preparing a solution.
Dilution Calculator
Determine the dilution needed to prepare a stock solution.
Reconstitution Calculator
Shall we send you a message when we have discounts available?
Remind me later
Allow
Thank you! Please check your email inbox to confirm.
Oops! Notifications are disabled.
