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Nicotinaldehyde

CAT: 0013-GTR19255214-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19255214-01Size:500 mg
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Description
Nicotinaldehyde is a pyridine formaldehyde compound widely used in biochemical experiments and drug synthesis research.
CAS Number
500-22-1
Purity
97.14% (May vary between batches)
Smiles
O=CC=1C=NC=CC1
Molecular Formula
C6H5NO
Molecular Weight
107.11
Storage Conditions
Pure form: -20°C for 3 years | In solvent: -80°C for 1 year
Notes
For research use only.

Chemical Information

3-Pyridinecarboxaldehyde

Pyridine-3-carbaldehyde is a pyridinecarbaldehyde that is pyridine substituted by a formyl group at position 3.

CAS Number500-22-1
PubChem CID10371
IUPAC Namepyridine-3-carbaldehyde
Molecular FormulaC6H5NO
Molecular Weight107.11
XLogP0.3
Topological Polar Surface Area30
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count8
Formal Charge0
Complexity82
SMILES
C1=CC(=CN=C1)C=O
InChI
InChI=1S/C6H5NO/c8-5-6-2-1-3-7-4-6/h1-5H
InChIKey
QJZUKDFHGGYHMC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Pyridinecarboxaldehyde
CAS: 500-22-1
CID: 10371
Formula: C6H5NO
MW: 107.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight107.11
XLogP30.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass107.037113783
Monoisotopic Mass107.037113783
Topological Polar Surface Area30 Ų
Heavy Atom Count8
Formal Charge0
Complexity82.6
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TN9200-01Nicotinaldehyde
sc-334890A2- (Phenylsulfanyl) nicotinaldehyde
PC1006893-012- (Difluoromethyl) nicotinaldehyde
OR10853966- (cyclobutylmethoxy) nicotinaldehyde
OR10948262- (cyclopentyloxy) nicotinaldehyde
PC201062-016- (Difluoromethoxy) nicotinaldehyde
sc-506726Nicotinaldehyde N-oxide
sc-3257026- (Methylamino) nicotinaldehyde
OR1084300-016- (ethylthio) nicotinaldehyde
PC4333-016- (Trifluoromethyl) nicotinaldehyde

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