5-iodo-1H-pyrazole-3-carboxylic acid

5-iodo-1H-pyrazole-3-carboxylic acid

CAS: 1797419-09-0

Formula: C4H3IN2O2

SMILES: OC(=O)C1=NNC(I)=C1

IUPAC: 5-iodo-1H-pyrazole-3-carboxylic acid

InChI: InChI=1S/C4H3IN2O2/c5-3-1-2(4(8)9)6-7-3/h1H,(H,6,7)(H,8,9)

Composition: C (20.19%), H (1.27%), I (53.32%), N (11.77%), O (13.45%)

Molar Mass: 237.984

Atom Count: 12

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	237.92392
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	XNXDMKMSBMCCCK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	38.29
Topological Polar Surface Area	65.98
Polarizability	15.2
Ring Count	1
Rotatable Bond Count	1

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