4-Amino-5-nitro-2-(trifluoromethyl)pyridine - CAS 438564-36-4
Catalog: |
BB025483 |
Product Name: |
4-Amino-5-nitro-2-(trifluoromethyl)pyridine |
CAS: |
438564-36-4 |
Synonyms: |
5-nitro-2-(trifluoromethyl)-4-pyridinamine; 5-nitro-2-(trifluoromethyl)pyridin-4-amine |
IUPAC Name: | 5-nitro-2-(trifluoromethyl)pyridin-4-amine |
Description: | 4-Amino-5-nitro-2-(trifluoromethyl)pyridine (CAS# 438564-36-4) is a useful research chemical. |
Molecular Weight: | 207.11 |
Molecular Formula: | C6H4F3N3O2 |
Canonical SMILES: | C1=C(C(=CN=C1C(F)(F)F)[N+](=O)[O-])N |
InChI: | InChI=1S/C6H4F3N3O2/c7-6(8,9)5-1-3(10)4(2-11-5)12(13)14/h1-2H,(H2,10,11) |
InChI Key: | PVCDQWOCSKSIQG-UHFFFAOYSA-N |
LogP: | 2.69520 |
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 |
AU-2017316742-A1 | Antibiotic compounds | 20160822 |
CA-3034000-A1 | Antibiotic compounds | 20160822 |
CN-109923111-A | Antibiotic compound | 20160822 |
EP-3500567-A1 | Antibiotic compounds | 20160822 |
JP-2019528291-A | Antibiotic compounds | 20160822 |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.02556087 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.02556087 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 84.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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