4-Fluoro-2-(1H-pyrazol-3-yl)phenol - CAS 288401-64-9
Catalog: |
BB019987 |
Product Name: |
4-Fluoro-2-(1H-pyrazol-3-yl)phenol |
CAS: |
288401-64-9 |
Synonyms: |
4-fluoro-2-(1H-pyrazol-5-yl)phenol |
IUPAC Name: | 4-fluoro-2-(1H-pyrazol-5-yl)phenol |
Description: | 4-Fluoro-2-(1H-pyrazol-3-yl)phenol (CAS# 288401-64-9) is a useful research chemical. |
Molecular Weight: | 178.16 |
Molecular Formula: | C9H7FN2O |
Canonical SMILES: | C1=CC(=C(C=C1F)C2=CC=NN2)O |
InChI: | InChI=1S/C9H7FN2O/c10-6-1-2-9(13)7(5-6)8-3-4-11-12-8/h1-5,13H,(H,11,12) |
InChI Key: | QKAHKTLLEHWJPY-UHFFFAOYSA-N |
Boiling Point: | 206.3 °C at 760 mmHg |
Density: | 1.36 g/cm3 |
MDL: | MFCD00104658 |
LogP: | 1.92140 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CA-2722159-A1 | Substituted phenylimidazole compounds and their use as ido inhibitors | 20080424 |
CA-2722159-C | Substituted phenylimidazole compounds and their use as ido inhibitors | 20080424 |
EP-2291187-A2 | Ido inhibitors | 20080424 |
EP-2291187-B1 | Ido inhibitors | 20080424 |
US-2011136796-A1 | IDO Inhibitors | 20080424 |
PMID | Publication Date | Title | Journal |
20580138 | 20100901 | Identification of potent virtual leads to design novel indoleamine 2,3-dioxygenase inhibitors: pharmacophore modeling and molecular docking studies | European journal of medicinal chemistry |
18665584 | 20080828 | Structure based development of phenylimidazole-derived inhibitors of indoleamine 2,3-dioxygenase | Journal of medicinal chemistry |
Complexity: | 179 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.05424101 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.05424101 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 48.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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