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3-iodo-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid

3-iodo-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid

CAS: 1458593-85-5

Formula: C8H6IN3O2

SMILES: CC1=NC2=C(I)C=NN2C(=C1)C(O)=O

IUPAC: 3-iodo-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid

InChI: InChI=1S/C8H6IN3O2/c1-4-2-6(8(13)14)12-7(11-4)5(9)3-10-12/h2-3H,1H3,(H,13,14)

Composition: C (31.71%), H (2.00%), I (41.87%), N (13.87%), O (10.56%)

Molar Mass: 303.059

Atom Count: 20

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 302.95047
Formal Charge 0
FSP3 0.12
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey RYXMFAYTCQKUGB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.86
Topological Polar Surface Area 67.49
Polarizability 21.99
Ring Count 2
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
95% <7 Days 1458593-85-5 $254.80$254.80
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