2-{3H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}pyridine hydrate

2-{3H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}pyridine hydrate

CAS: 1268982-42-8

Formula: C11H14N4O

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

IUPAC: 2-{3H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}pyridine hydrate

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

Composition: C (60.53%), H (6.47%), N (25.67%), O (7.33%)

Molar Mass: 218.26

Atom Count: 30

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	218.116761087
Formal Charge	0
FSP3	0.27
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	PTJNLRKLWMQKBS-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.55
Topological Polar Surface Area	53.6
Polarizability	22.07
Ring Count	3
Rotatable Bond Count	1

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