2-Iodo-6-methoxypyrazine - CAS 58139-03-0
Catalog: |
BB029946 |
Product Name: |
2-Iodo-6-methoxypyrazine |
CAS: |
58139-03-0 |
Synonyms: |
2-iodo-6-methoxypyrazine |
IUPAC Name: | 2-iodo-6-methoxypyrazine |
Description: | 2-Iodo-6-methoxypyrazine (CAS# 58139-03-0) is a useful research chemical. |
Molecular Weight: | 236.01 |
Molecular Formula: | C5H5IN2O |
Canonical SMILES: | COC1=CN=CC(=N1)I |
InChI: | InChI=1S/C5H5IN2O/c1-9-5-3-7-2-4(6)8-5/h2-3H,1H3 |
InChI Key: | NSZWVUZALRZRLQ-UHFFFAOYSA-N |
Boiling Point: | 257.971 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.935 g/cm3 |
MDL: | MFCD09265494 |
LogP: | 1.08980 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-10336754-B2 | Pyrimidinones as factor XIa inhibitors | 20141001 |
US-2016096839-A1 | Pyrimidinones as factor xia inhibitors | 20141001 |
US-2016368923-A1 | Pyrimidinones as factor xia inhibitors | 20141001 |
US-2018186795-A1 | Pyrimidinones as factor xia inhibitors | 20141001 |
US-2020055854-A1 | Pyrimidinones as factor xia inhibitors | 20141001 |
Complexity: | 91 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.94466 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.94466 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 35 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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