3-chloro-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid

3-chloro-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid

CAS: 1015846-76-0

Formula: C8H6ClN3O2

SMILES: CC1=CN2N=C(C(O)=O)C(Cl)=C2N=C1

IUPAC: 3-chloro-6-methylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid

InChI: InChI=1S/C8H6ClN3O2/c1-4-2-10-7-5(9)6(8(13)14)11-12(7)3-4/h2-3H,1H3,(H,13,14)

Composition: C (45.41%), H (2.86%), Cl (16.75%), N (19.86%), O (15.12%)

Molar Mass: 211.61

Atom Count: 20

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	211.0148541
Formal Charge	0
FSP3	0.12
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	PTHOBOPZSDCKOG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.5
Topological Polar Surface Area	67.49
Polarizability	18.59
Ring Count	2
Rotatable Bond Count	1

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