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N-(5-iodopyridin-2-yl)-4-methoxybenzamide

N-(5-iodopyridin-2-yl)-4-methoxybenzamide

CAS: 842119-43-1

Formula: C13H11IN2O2

SMILES: COC1=CC=C(C=C1)C(=O)NC1=NC=C(I)C=C1

IUPAC: N-(5-iodopyridin-2-yl)-4-methoxybenzamide

InChI: InChI=1S/C13H11IN2O2/c1-18-11-5-2-9(3-6-11)13(17)16-12-7-4-10(14)8-15-12/h2-8H,1H3,(H,15,16,17)

Composition: C (44.09%), H (3.13%), I (35.83%), N (7.91%), O (9.04%)

Molar Mass: 354.147

Atom Count: 29

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 353.98652
Formal Charge 0
FSP3 0.08
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey GHLCAJHQSBWPGO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 79.57
Topological Polar Surface Area 51.22
Polarizability 29.71
Ring Count 2
Rotatable Bond Count 3

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