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4-{3H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}pyridine dihydrate

4-{3H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}pyridine dihydrate

CAS: 1269054-17-2

Formula: C11H16N4O2

SMILES: O.O.C1CC2=C(NC=N2)C(N1)C1=CC=NC=C1

IUPAC: 4-{3H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}pyridine dihydrate

InChI: InChI=1/C11H12N4.2H2O/c1-4-12-5-2-8(1)10-11-9(3-6-13-10)14-7-15-11;;/h1-2,4-5,7,10,13H,3,6H2,(H,14,15);2*1H2

Composition: C (55.92%), H (6.83%), N (23.71%), O (13.54%)

Molar Mass: 236.275

Atom Count: 33

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 236.127325771
Formal Charge 0
FSP3 0.27
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey QTYYRGKSVYLELV-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 57
Topological Polar Surface Area 53.6
Polarizability 22.07
Ring Count 3
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
95% <4 Days 1269054-17-2 $28.75-$1,189.10$28.75$116.15$234.60$1,189.10
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