8-Bromo-5-chloro-1,6-naphthyridine - CAS 909649-12-3
Catalog: |
BB040010 |
Product Name: |
8-Bromo-5-chloro-1,6-naphthyridine |
CAS: |
909649-12-3 |
Synonyms: |
8-bromo-5-chloro-1,6-naphthyridine; 8-bromo-5-chloro-1,6-naphthyridine |
IUPAC Name: | 8-bromo-5-chloro-1,6-naphthyridine |
Description: | 8-Bromo-5-chloro-1,6-naphthyridine (CAS# 909649-12-3) is a useful research chemical. |
Molecular Weight: | 243.49 |
Molecular Formula: | C8H4BrClN2 |
Canonical SMILES: | C1=CC2=C(C(=CN=C2Cl)Br)N=C1 |
InChI: | InChI=1S/C8H4BrClN2/c9-6-4-12-8(10)5-2-1-3-11-7(5)6/h1-4H |
InChI Key: | LAJYLYMBZVFAEY-UHFFFAOYSA-N |
Boiling Point: | 343.473 °C at 760 mmHg |
Density: | 1.763 g/cm3 |
MDL: | MFCD08567949 |
LogP: | 3.04570 |
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 |
US-2020163953-A1 | Compounds for Inhibition of Alpha 4 Beta 7 Integrin | 20181030 |
WO-2020092401-A1 | COMPOUNDS FOR INHIBITION OF ALPHA 4β7 INTEGRIN | 20181030 |
CN-112969504-A | Compounds for inhibiting alpha 4 beta 7 integrins | 20181030 |
EP-3873605-A1 | Compounds for inhibition of alpha4beta7 integrin | 20181030 |
KR-20210087960-A | Compounds for Inhibition of Alpha4β7 Integrin | 20181030 |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 241.92464 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 241.92464 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 25.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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