3-bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid

3-bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid

CAS: 937601-34-8

Formula: C9H8BrN3O2

SMILES: CC1=NN2C(N=C(C)C=C2C(O)=O)=C1Br

IUPAC: 3-bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid

InChI: InChI=1S/C9H8BrN3O2/c1-4-3-6(9(14)15)13-8(11-4)7(10)5(2)12-13/h3H,1-2H3,(H,14,15)

Composition: C (40.02%), H (2.99%), Br (29.58%), N (15.56%), O (11.85%)

Molar Mass: 270.086

Atom Count: 23

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	268.97999
Formal Charge	0
FSP3	0.22
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	XZNCNTQHIIHHHC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.71
Topological Polar Surface Area	67.49
Polarizability	21.32
Ring Count	2
Rotatable Bond Count	1

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