6-Hydroxy-3-pyridinecarboxaldehyde - CAS 106984-91-2
Catalog: |
BB001954 |
Product Name: |
6-Hydroxy-3-pyridinecarboxaldehyde |
CAS: |
106984-91-2 |
Synonyms: |
6-oxo-1H-pyridine-3-carboxaldehyde; 6-oxo-1H-pyridine-3-carbaldehyde |
IUPAC Name: | 6-oxo-1H-pyridine-3-carbaldehyde |
Description: | 6-Hydroxy-3-pyridinecarboxaldehyde (CAS# 106984-91-2) is a useful research chemical. |
Molecular Weight: | 123.11 |
Molecular Formula: | C6H5NO2 |
Canonical SMILES: | C1=CC(=O)NC=C1C=O |
InChI: | InChI=1S/C6H5NO2/c8-4-5-1-2-6(9)7-3-5/h1-4H,(H,7,9) |
InChI Key: | BUMAFTGGYPBHHK-UHFFFAOYSA-N |
Boiling Point: | 333.7 °C at 760 mmHg |
Density: | 1.365 g/cm3 |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | 0.59970 |
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 |
EP-3892332-A1 | New anti-malarial agents | 20200409 |
WO-2021204952-A1 | New anti-malarial agents | 20200409 |
WO-2021151104-A1 | Salicylamide derivatives and related methods of making | 20200126 |
WO-2021076890-A1 | INHIBITING HUMAN INTEGRIN α4β7 | 20191016 |
WO-2021076902-A1 | INHIBITING HUMAN INTEGRIN α 4 β 7 | 20191016 |
Complexity: | 203 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 123.032028402 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 123.032028402 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 46.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.6 |
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