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[2,2'-Bipyridine]-5-carbaldehyde

CAT: 0127-OR1033879-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1033879-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
179873-48-4
Purity
98%
Smiles
O=CC1=CN=C(C=C1)C1=NC=CC=C1

Chemical Information

6-(Pyridin-2-yl)pyridine-3-carbaldehyde
CAS Number179873-48-4
PubChem CID10866997
IUPAC Name6-pyridin-2-ylpyridine-3-carbaldehyde
Molecular FormulaC11H8N2O
Molecular Weight184.19
XLogP1.2
Topological Polar Surface Area42.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity196
SMILES
C1=CC=NC(=C1)C2=NC=C(C=C2)C=O
InChI
InChI=1S/C11H8N2O/c14-8-9-4-5-11(13-7-9)10-3-1-2-6-12-10/h1-8H
InChIKey
NYRALBSJJJBAMN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-(Pyridin-2-yl)pyridine-3-carbaldehyde
CAS: 179873-48-4
CID: 10866997
Formula: C11H8N2O
MW: 184.19
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight184.19
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass184.063662883
Monoisotopic Mass184.063662883
Topological Polar Surface Area42.9 Ų
Heavy Atom Count14
Formal Charge0
Complexity196
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

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