4-Bromo-2,7-naphthyridine

CAT: 0127-OR1075041-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1075041-01Size:250 mg

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CAS Number

28002-16-6

MDL Number

MFCD18250883

Purity

97%

Smiles

BrC1=CN=CC2=C1C=CN=C2

Chemical Information

4-Bromo-2,7-naphthyridine

CAS Number	28002-16-6
PubChem CID	21819982
IUPAC Name	4-bromo-2,7-naphthyridine
Molecular Formula	C8H5BrN2
Molecular Weight	209.04
XLogP	1.7
Topological Polar Surface Area	25.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	140

SMILES

C1=CN=CC2=CN=CC(=C21)Br

InChI

InChI=1S/C8H5BrN2/c9-8-5-11-4-6-3-10-2-1-7(6)8/h1-5H

InChIKey

AZSTZKZCZFRDHB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 28002-16-6

CID: 21819982

Formula: C8H5BrN2

MW: 209.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	209.04
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	207.96361
Monoisotopic Mass	207.96361
Topological Polar Surface Area	25.8 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	140
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1074928-01	4-Bromo-1-chloro-2,7-naphthyridine
OR73412-01	2-Bromo-1,7-naphthyridine
OR84523-01	1-Bromo-2,7-naphthyridine
OR79098-01	4-Bromo-1,6-dichloro-2,7-naphthyridine
OR917996-01	2,7-Naphthyridine-4-carbaldehyde
OR74111-01	8-Bromo-1,7-naphthyridine
OR73110	5-Bromo-[1,7]naphthyridine
OR54432	7-Bromo-2-chloro-1,5-naphthyridine
OR88247-01	2-Bromo-6-chloro-1,7-naphthyridine
OR1002378-01	7-Bromo-2-chloro-1,6-naphthyridine