3-(4-Bromo-1H-pyrazol-1-yl)pyridine - CAS 77556-44-6
Catalog: |
BB072394 |
Product Name: |
3-(4-Bromo-1H-pyrazol-1-yl)pyridine |
CAS: |
77556-44-6 |
Synonyms: |
3-(4-bromo-1H-pyrazol-1-yl)pyridine; 3-(4-bromopyrazol-1-yl)pyridine; 4-Bromo-1-(3-pyridyl)pyrazole |
IUPAC Name: | 3-(4-bromopyrazol-1-yl)pyridine |
Molecular Weight: | 224.06 |
Molecular Formula: | C8H6N3Br |
Canonical SMILES: | C1=CC(=CN=C1)N2C=C(C=N2)Br |
InChI: | InChI=1S/C8H6BrN3/c9-7-4-11-12(6-7)8-2-1-3-10-5-8/h1-6H |
InChI Key: | GEHXUIGDGPBAHL-UHFFFAOYSA-N |
References: | Bretschneider, T., et al. PCT Int. Appl. WO 2011045224, 149, (2011). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 153 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.97451 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.97451 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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