Abemaciclib Impurity 67

CAT: 1299-RM-A305067-03Size: 50 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-A305067-03Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

69879-22-7

Synonyms

6-aminonicotinaldehyde

Molecular Formula

C6H6N2O

Molecular Weight

122.13

Target Alternative Name

Abemaciclib

Product Name Synonym

6-aminonicotinaldehyde

Chemical Information

6-Aminonicotinaldehyde

CAS Number	69879-22-7
PubChem CID	18404634
IUPAC Name	6-aminopyridine-3-carbaldehyde
Molecular Formula	C6H6N2O
Molecular Weight	122.12
XLogP	0
Topological Polar Surface Area	56
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	105

SMILES

C1=CC(=NC=C1C=O)N

InChI

InChI=1S/C6H6N2O/c7-6-2-1-5(4-9)3-8-6/h1-4H,(H2,7,8)

InChIKey

BMNPVMQSUPTGFD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 69879-22-7

CID: 18404634

Formula: C6H6N2O

MW: 122.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	122.12
XLogP3	0
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	122.048012819
Monoisotopic Mass	122.048012819
Topological Polar Surface Area	56 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	105
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