3-chloro-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

3-chloro-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

CAS: 842974-84-9

Formula: C9H8ClN3O3

SMILES: OCCC1=CN2N=C(C(O)=O)C(Cl)=C2N=C1

IUPAC: 3-chloro-6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

InChI: InChI=1S/C9H8ClN3O3/c10-6-7(9(15)16)12-13-4-5(1-2-14)3-11-8(6)13/h3-4,14H,1-2H2,(H,15,16)

Composition: C (44.74%), H (3.34%), Cl (14.67%), N (17.39%), O (19.86%)

Molar Mass: 241.63

Atom Count: 24

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	241.0254188
Formal Charge	0
FSP3	0.22
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	DJSHWXLZXVHQLZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.03
Topological Polar Surface Area	87.72
Polarizability	21.1
Ring Count	2
Rotatable Bond Count	3

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