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Home> Encyclopedia >   /  Organic Intermediate  /  Pharmaceutical Intermediates  /  Organic Intermediates  /  Pharmaceuticals and Biochemicals  /  Antibiotic and antimicrobial agents
 pyrazolo[4,3-c]pyridine  structure
 pyrazolo[4,3-c]pyridine  structure

pyrazolo[4,3-c]pyridine

Iupac Name:6-methoxyquinoline
CAS No.:5263-87-6
Molecular Weight:159.18456
1. Names and Identifiers
1.1 Name
pyrazolo[4,3-c]pyridine
1.2 Synonyms

2H-Pyrazolo[4,3-c]pyridine pyrazolo[4,3-c]pyridine

1.3 CAS No.
5263-87-6
1.4 CID
14860
1.5 Molecular Formula
C20H34O (isomer)
1.6 Inchi
InChI=1S/C10H9NO/c1-12-9-4-5-10-8(7-9)3-2-6-11-10/h2-7H,1H3
1.7 InChkey
HFDLDPJYCIEXJP-UHFFFAOYSA-N
1.8 Canonical Smiles
COC1=CC2=C(C=C1)N=CC=C2
1.9 Isomers Smiles
COC1=CC2=C(C=C1)N=CC=C2
2. 3D Conformer
3. Properties
3.1 Density
1.654
3.2 Melting Point
18-20℃
3.3 Refractive Index
1.617-1.624
4. Safety and Handling
4.1 Risk Statements
R36/37/38
4.2 Safety Statements
S24/25
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

6. Computational chemical data
  • Molecular Weight:159.18456g/mol
  • Molecular Formula:C20H34O
  • XLogP3-AA:2.2
  • Exact Mass:159.068414
  • Monoisotopic Mass:159.068414
  • Complexity:149
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:22.1
  • Heavy Atom Count:12
  • 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
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