5-Bromo-4-hydroxynicotinaldehyde

CAT: 0127-OR1044406-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1044406-01Size:100 mg

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CAS Number

1289109-05-2

MDL Number

MFCD22547734

Purity

95%

Smiles

O=CC1=CN=CC(Br)=C1O

Chemical Information

5-Bromo-4-hydroxynicotinaldehyde

CAS Number	1289109-05-2
PubChem CID	72218070
IUPAC Name	5-bromo-4-oxo-1H-pyridine-3-carbaldehyde
Molecular Formula	C6H4BrNO2
Molecular Weight	202.01
XLogP	0.7
Topological Polar Surface Area	46.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	242

SMILES

C1=C(C(=O)C(=CN1)Br)C=O

InChI

InChI=1S/C6H4BrNO2/c7-5-2-8-1-4(3-9)6(5)10/h1-3H,(H,8,10)

InChIKey

KPMMFNJPSDBZTB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1289109-05-2

CID: 72218070

Formula: C6H4BrNO2

MW: 202.01

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	202.01
XLogP3	0.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	200.94254
Monoisotopic Mass	200.94254
Topological Polar Surface Area	46.2 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	242
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
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OR948489-01	4-Hydroxynicotinaldehyde
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PC1004644-01	5-Fluoro-6-hydroxynicotinaldehyde
OR110376-01	5-Chloro-6-hydroxynicotinaldehyde
OR4910-01	6-Hydroxynicotinaldehyde
OR1042800-01	2-Hydroxynicotinaldehyde
OR88816	5-Bromo-3-hydroxypicolinaldehyde
PC450097-01	5-Bromo-4,4,5,5-tetrafluoropentanamide

Catalog	Name
JH918299	6-Bromo-4-hydroxynicotinaldehyde
JH918301	6-Bromo-2-hydroxynicotinaldehyde
GTR19267542-01	5-Fluoro-2-hydroxynicotinaldehyde
sc-307401	2-Chloro-4-hydroxynicotinaldehyde
sc-262857	6-Hydroxynicotinaldehyde
SEC96498-01	4-Bromo-5-thiazolecarbonitrile
QKB09252-01	5-Bromo-4-methylnicotinonitrile
QEB80667-01	4-Bromo-5-phenyloxazole
LAC62882-01	4-Bromo-5-chloropyrimidine
WDC69739-01	5-Bromo-4-cyclopropylpyrimidine