3-Bromo-5-nitropyridin-4-ol - CAS 31872-65-8
Catalog: |
BB021081 |
Product Name: |
3-Bromo-5-nitropyridin-4-ol |
CAS: |
31872-65-8 |
Synonyms: |
3-bromo-5-nitro-1H-pyridin-4-one |
IUPAC Name: | 3-bromo-5-nitro-1H-pyridin-4-one |
Description: | 3-Bromo-5-nitropyridin-4-ol (CAS# 31872-65-8) is a useful research chemical. |
Molecular Weight: | 218.99 |
Molecular Formula: | C5H3BrN2O3 |
Canonical SMILES: | C1=C(C(=O)C(=CN1)Br)[N+](=O)[O-] |
InChI: | InChI=1S/C5H3BrN2O3/c6-3-1-7-2-4(5(3)9)8(10)11/h1-2H,(H,7,9) |
InChI Key: | IIIJPRRVYYWKQW-UHFFFAOYSA-N |
Boiling Point: | 291.7 ℃ at 760 mmHg |
Density: | 1.98 g/cm3 |
Appearance: | Solid |
MDL: | MFCD08692339 |
LogP: | 1.98110 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111032641-A | Substituted 5-cyanoindole compounds and uses thereof | 20170619 |
EP-3642195-A1 | Substituted 5-cyanoindole compounds and uses thereof | 20170619 |
TW-201904942-A | Substituted 5-cyanoguanidine compound and its use | 20170619 |
US-10604502-B2 | Substituted 5-cyanoindole compounds and uses thereof | 20170619 |
US-2019023684-A1 | Substituted 5-cyanoindole compounds and uses thereof | 20170619 |
Complexity: | 276 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.93270 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.93270 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 74.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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Pyridines
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