ethyl 5-chloro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate

ethyl 5-chloro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate

CAS: 1363382-17-5

Formula: C9H8ClN3O2

SMILES: CCOC(=O)C1=NNC2=CN=C(Cl)C=C12

IUPAC: ethyl 5-chloro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate

InChI: InChI=1S/C9H8ClN3O2/c1-2-15-9(14)8-5-3-7(10)11-4-6(5)12-13-8/h3-4H,2H2,1H3,(H,12,13)

Composition: C (47.91%), H (3.57%), Cl (15.71%), N (18.62%), O (14.18%)

Molar Mass: 225.63

Atom Count: 23

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	225.0305042
Formal Charge	0
FSP3	0.22
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	KXDILJJXOGNWNI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.18
Topological Polar Surface Area	67.87
Polarizability	21.99
Ring Count	2
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	1363382-17-5		$258.51-$1,150.03$258.51$472.88$786.86$1,150.03