6-(4-Fluorophenyl)-2-pyridinecarboxaldehyde - CAS 834884-77-4
Catalog: |
BB037034 |
Product Name: |
6-(4-Fluorophenyl)-2-pyridinecarboxaldehyde |
CAS: |
834884-77-4 |
Synonyms: |
6-(4-fluorophenyl)pyridine-2-carbaldehyde |
IUPAC Name: | 6-(4-fluorophenyl)pyridine-2-carbaldehyde |
Description: | 6-(4-Fluorophenyl)-2-pyridinecarboxaldehyde (CAS# 834884-77-4) is a useful research chemical. |
Molecular Weight: | 201.20 |
Molecular Formula: | C12H8FNO |
Canonical SMILES: | C1=CC(=NC(=C1)C=O)C2=CC=C(C=C2)F |
InChI: | InChI=1S/C12H8FNO/c13-10-6-4-9(5-7-10)12-3-1-2-11(8-15)14-12/h1-8H |
InChI Key: | WVQIFQHRRHZIGZ-UHFFFAOYSA-N |
LogP: | 2.70020 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CA-2815179-A1 | Lactam derivatives useful as orexin receptor antagonists | 20101110 |
CN-103201261-A | Lactam derivatives useful as orexin receptor antagonists | 20101110 |
EP-2638008-A1 | Lactam derivatives useful as orexin receptor antagonists | 20101110 |
EP-2638008-B1 | Lactam derivatives useful as orexin receptor antagonists | 20101110 |
JP-2013545744-A | Lactam derivatives useful as orexin receptor antagonists | 20101110 |
PMID | Publication Date | Title | Journal |
22263894 | 20120308 | Cyclooxygenase-1-selective inhibitors based on the (E)-2'-des-methyl-sulindac sulfide scaffold | Journal of medicinal chemistry |
Complexity: | 214 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 201.058992041 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 201.058992041 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 30 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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