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2-amino-4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

2-amino-4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

CAS: 124738-81-4

Formula: C7H4ClN5

SMILES: NC1=NC(Cl)=C2C(NC=C2C#N)=N1

IUPAC: 2-amino-4-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

InChI: InChI=1S/C7H4ClN5/c8-5-4-3(1-9)2-11-6(4)13-7(10)12-5/h2H,(H3,10,11,12,13)

Composition: C (43.43%), H (2.08%), Cl (18.31%), N (36.18%)

Molar Mass: 193.59

Atom Count: 17

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 193.0155228
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey VFKWCSCTCYYFAU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50
Topological Polar Surface Area 91.38
Polarizability 18.07
Ring Count 2
Rotatable Bond Count 0

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