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7-Deazapurine impurity 1

CAT: 0804-HY-Z0610-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-Z0610-01Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
7-Deazapurine impurity 1 is a drug impurity.
CAS Number
876343-10-1
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Drug Intermediate
Related Pathways
Others
Field of Research
Others
Purity
97.73
Smiles
IC1=CC2=C(Cl)N=CN=C2N1
Molecular Formula
C6H3ClIN3
Molecular Weight
279.47
Precautions
H302, H315, H319, H335
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Reference compound2
Clinical Information
No Development Reported

Chemical Information

4-Chloro-6-iodo-7H-pyrrolo(2,3-d)pyrimidine
CAS Number876343-10-1
PubChem CID45789732
IUPAC Name4-chloro-6-iodo-7H-pyrrolo[2,3-d]pyrimidine
Molecular FormulaC6H3ClIN3
Molecular Weight279.46
XLogP2.3
Topological Polar Surface Area41.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity157
SMILES
C1=C(NC2=C1C(=NC=N2)Cl)I
InChI
InChI=1S/C6H3ClIN3/c7-5-3-1-4(8)11-6(3)10-2-9-5/h1-2H,(H,9,10,11)
InChIKey
DXPVKZYVQANEDW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Chloro-6-iodo-7H-pyrrolo(2,3-d)pyrimidine
CAS: 876343-10-1
CID: 45789732
Formula: C6H3ClIN3
MW: 279.46
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight279.46
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass278.90602
Monoisotopic Mass278.90602
Topological Polar Surface Area41.6 Ų
Heavy Atom Count11
Formal Charge0
Complexity157
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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