4-Chloro-3-nitropyridine - CAS 13091-23-1
Catalog: |
BB007197 |
Product Name: |
4-Chloro-3-nitropyridine |
CAS: |
13091-23-1 |
Synonyms: |
4-chloro-3-nitropyridine |
IUPAC Name: | 4-chloro-3-nitropyridine |
Description: | 4-Chloro-3-nitropyridine (CAS# 13091-23-1) is a compound useful in organic synthesis. |
Molecular Weight: | 158.54 |
Molecular Formula: | C5H3ClN2O2 |
Canonical SMILES: | C1=CN=CC(=C1Cl)[N+](=O)[O-] |
InChI: | InChI=1S/C5H3ClN2O2/c6-4-1-2-7-3-5(4)8(9)10/h1-3H |
InChI Key: | JOTRPRKONYTVBV-UHFFFAOYSA-N |
Boiling Point: | 246.5 °C at 760 mmHg |
Density: | 1.489 g/cm3 |
Appearance: | Brown powder or solid |
MDL: | MFCD02683025 |
LogP: | 2.16640 |
GHS Hazard Statement: | H301 (88.89%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P304+P340, P305+P351+P338, P310, P312, P321, P330, P337+P313, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021102332-A1 | Tgfbetar2 inhibitor-lrrc15 antibody conjugates and uses thereof | 20191122 |
US-2021107921-A1 | Heterocyclic compounds | 20190923 |
WO-2021058416-A1 | Heterocyclic compounds | 20190923 |
WO-2021050612-A1 | Compositions and methods for the treatment of respiratory syncytial virus | 20190909 |
WO-2020216378-A1 | Heterocyclic compound, application thereof, and composition containing same | 20190426 |
PMID | Publication Date | Title | Journal |
22111927 | 20111222 | Structure-guided evolution of potent and selective CHK1 inhibitors through scaffold morphing | Journal of medicinal chemistry |
Complexity: | 136 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 157.9883050 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 157.9883050 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 58.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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