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2-FLUORO-6-HYDROXYMETHYL PYRIDINE structure

2-FLUORO-6-HYDROXYMETHYL PYRIDINE

 
1. Names and Identifiers
1.1 Name
2-FLUORO-6-HYDROXYMETHYL PYRIDINE
1.2 Synonyms
(6-Fluoro-2-pyridyl)methanol; (6-fluoropyridin-2-yl)Methanol; 2-FLUORO-6-HYDROXYMETHYL PYRIDINE; 2-Pyridinemethanol, 6-fluoro-; 2-Pyridinemethanol,6-fluoro-(9CI); 6-Fluoro-2-pyridinemethanol;
1.3 CAS No.
315180-17-7
1.4 CID
12045263
1.5 Molecular Formula
C6H6FNO
1.6 Inchi
InChI=1S/C6H6FNO/c7-6-3-1-2-5(4-9)8-6/h1-3,9H,4H2
1.7 InChkey
OWTCZNAMUJIMOC-UHFFFAOYSA-N
1.8 Canonical Smiles
C1=CC(=NC(=C1)F)CO
1.9 Isomers Smiles
C1=CC(=NC(=C1)F)CO
2. Properties
2.1 Solubility
溶解 (50 g/L) (25 oC),
2.2 pKa
13.08±0.10(Predicted)
2.3 Water Solubility
Soluble (50 g/L) (25 oC)
3. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

4. Synthesis Route
315180-17-7Total: 3 Synthesis Route
 
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5. Precursor and Product
6. Computed Properties
  • Molecular Weight:127.12g/mol
  • Molecular Formula:C6H6FNO
  • Compound Is Canonicalized:True
  • Exact Mass:0.4
  • XLogP3-AA:127.043341977
  • Monoisotopic Mass:127.043341977
  • Complexity:89.1
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:33.1
  • Heavy Atom Count::9
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint:AAADcYBiIQAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHwAACAAACAihlgowgJIIEgCgASRiRASCgCAhAiAImCAwbJgKNuLAkZGEcAhkwAHY2AeQQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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8. Realated Product Infomation
 
 
 
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