6-bromopyrazolo[1,5-a]pyrimidine-3-carbonitrile

6-bromopyrazolo[1,5-a]pyrimidine-3-carbonitrile

CAS: 352637-44-6

Formula: C7H3BrN4

SMILES: BrC1=CN2N=CC(C#N)=C2N=C1

IUPAC: 6-bromopyrazolo[1,5-a]pyrimidine-3-carbonitrile

InChI: InChI=1S/C7H3BrN4/c8-6-3-10-7-5(1-9)2-11-12(7)4-6/h2-4H

Composition: C (37.70%), H (1.36%), Br (35.83%), N (25.12%)

Molar Mass: 223.033

Atom Count: 15

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	221.954109
Formal Charge	0
FSP3	0
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	IDYCEZBYNPADDN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.12
Topological Polar Surface Area	53.98
Polarizability	17.21
Ring Count	2
Rotatable Bond Count	0

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