2-Chloro-5-nitropyridine-3-carbonitrile - CAS 31309-08-7
Catalog: |
BB020869 |
Product Name: |
2-Chloro-5-nitropyridine-3-carbonitrile |
CAS: |
31309-08-7 |
Synonyms: |
2-chloro-5-nitro-3-pyridinecarbonitrile; 2-chloro-5-nitropyridine-3-carbonitrile |
IUPAC Name: | 2-chloro-5-nitropyridine-3-carbonitrile |
Description: | 2-Chloro-5-nitropyridine-3-carbonitrile (CAS# 31309-08-7) is a useful research chemical. |
Molecular Weight: | 183.55 |
Molecular Formula: | C6H2ClN3O2 |
Canonical SMILES: | C1=C(C(=NC=C1[N+](=O)[O-])Cl)C#N |
InChI: | InChI=1S/C6H2ClN3O2/c7-6-4(2-8)1-5(3-9-6)10(11)12/h1,3H |
InChI Key: | CSDMFMSXIUTEFJ-UHFFFAOYSA-N |
Boiling Point: | 312.4 ℃ at 760 mmHg |
Density: | 1.57 g/cm3 |
LogP: | 2.03808 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P310, P305+P351+P338, P310, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021043245-A1 | Hydantoin derivative | 20190906 |
WO-2021018869-A1 | 1,2,4-oxadiazol-5-one derivatives for the treatment of cancer | 20190729 |
US-2019381019-A1 | Pyrazole derivatives as malt1 inhibitors | 20180618 |
WO-2019243964-A1 | Pyrazole derivatives as malt1 inhibitors | 20180618 |
AU-2019289222-A1 | Pyrazole derivatives as MALT1 inhibitors | 20180618 |
PMID | Publication Date | Title | Journal |
16595643 | 20060601 | Synthesis and antileprosy activity of some dialkyldithiocarbamates | The Journal of antimicrobial chemotherapy |
Complexity: | 231 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.9835540 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.9835540 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 82.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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