2-Bromo-5-methoxyisonicotinaldehyde

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CAS Number

1256785-15-5

MDL Number

MFCD18261307

Smiles

C1 (cnc (cc1C=O) Br) OC

Chemical Information

2-Bromo-5-methoxypyridine-4-carbaldehyde

CAS Number	1256785-15-5
PubChem CID	72214141
IUPAC Name	2-bromo-5-methoxypyridine-4-carbaldehyde
Molecular Formula	C7H6BrNO2
Molecular Weight	216.03
XLogP	1.3
Topological Polar Surface Area	39.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	142

SMILES

COC1=CN=C(C=C1C=O)Br

InChI

InChI=1S/C7H6BrNO2/c1-11-6-3-9-7(8)2-5(6)4-10/h2-4H,1H3

InChIKey

NHNNSDWNJKQSLA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1256785-15-5

CID: 72214141

Formula: C7H6BrNO2

MW: 216.03

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	216.03
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	214.95819
Monoisotopic Mass	214.95819
Topological Polar Surface Area	39.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	142
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
OR1011822-01	5-Bromo-2-Methoxyisonicotinaldehyde
OR1071818-01	2-Bromo-3-methoxyisonicotinaldehyde
OR1096587-01	3-bromo-2-methoxyisonicotinaldehyde
OR1069183-01	2-Chloro-5-methoxyisonicotinaldehyde
OR83795-01	5-Chloro-2-methoxyisonicotinaldehyde
PC907873-01	5-Fluoro-2-methoxyisonicotinaldehyde
OR1031117-01	5-Hydroxy-2-methoxyisonicotinaldehyde
OR46110-01	2-Methoxyisonicotinaldehyde
OR1086376-01	3,5-Dichloro-2-methoxyisonicotinaldehyde
PC1018280-01	5-Chloro-3-fluoro-2-methoxyisonicotinaldehyde

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