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6-chloro-1H-pyrazolo[3,4-b]1,8-naphthyridin-3-amine

6-chloro-1H-pyrazolo[3,4-b]1,8-naphthyridin-3-amine

CAS: 1335220-58-0

Formula: C9H6ClN5

SMILES: NC1=NNC2=NC3=NC=C(Cl)C=C3C=C12

IUPAC: 6-chloro-1H-pyrazolo[3,4-b]1,8-naphthyridin-3-amine

InChI: InChI=1S/C9H6ClN5/c10-5-1-4-2-6-7(11)14-15-9(6)13-8(4)12-3-5/h1-3H,(H3,11,12,13,14,15)

Composition: C (49.22%), H (2.75%), Cl (16.14%), N (31.89%)

Molar Mass: 219.63

Atom Count: 21

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 219.0311729
Formal Charge 0
FSP3 0
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey DGSFHRRSHWRNKI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.18
Topological Polar Surface Area 80.48
Polarizability 22.05
Ring Count 3
Rotatable Bond Count 0

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