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

Technical Data

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Computed Properties

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

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 4Î²7 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 Alpha4Î²7 Integrin	20181030

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Related Functional Groups

Naphthyridines

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[1569-16-0]
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[1421254-01-4]
tert-Butyl 2-chloro-4-methyl-7,8-dihydro-1,6-naphthyridine-6(5H)-carboxylate

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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

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