4-Bromo-2-chloro-5-nitropyridine - CAS 1261767-18-3
Catalog: |
BB006524 |
Product Name: |
4-Bromo-2-chloro-5-nitropyridine |
CAS: |
1261767-18-3 |
Synonyms: |
4-bromo-2-chloro-5-nitropyridine; 4-bromo-2-chloro-5-nitropyridine |
IUPAC Name: | 4-bromo-2-chloro-5-nitropyridine |
Description: | 4-Bromo-2-chloro-5-nitropyridine CGRP receptor antagonists useful for treatment of migraine. |
Molecular Weight: | 237.44 |
Molecular Formula: | C5H2BrClN2O2 |
Canonical SMILES: | C1=C(C(=CN=C1Cl)[N+](=O)[O-])Br |
InChI: | InChI=1S/C5H2BrClN2O2/c6-3-1-5(7)8-2-4(3)9(10)11/h1-2H |
InChI Key: | DVBAUHSXNQFCQQ-UHFFFAOYSA-N |
Storage: | Inert atmosphere, Room Temperature |
LogP: | 2.92890 |
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 |
WO-2021048618-A1 | 1,4-dihydrobenzo[d]pyrazolo[3,4-f][1,3]diazepine derivatives and related compounds as lrrk2, nuak1 and/or tyk2 kinase modulators for the treatment of e.g. autoimmune disease | 20190913 |
WO-2021048620-A1 | 1,4-dihydrobenzo[d]pyrazolo[3,4-f][1,3]diazepine derivatives and related compounds as lrrk2, nuak1 and/or tyk2 kinase modulators for the treatment of e.g. autoimmune disease | 20190913 |
WO-2016022644-A1 | Heterocyclic cgrp receptor antagonists | 20140806 |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.89882 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.89882 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 58.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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Pyridines
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