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3-bromo-N-(5-iodo-6-methylpyridin-2-yl)benzamide

3-bromo-N-(5-iodo-6-methylpyridin-2-yl)benzamide

CAS: 760194-58-9

Formula: C13H10BrIN2O

SMILES: CC1=C(I)C=CC(NC(=O)C2=CC(Br)=CC=C2)=N1

IUPAC: 3-bromo-N-(5-iodo-6-methylpyridin-2-yl)benzamide

InChI: InChI=1S/C13H10BrIN2O/c1-8-11(15)5-6-12(16-8)17-13(18)9-3-2-4-10(14)7-9/h2-7H,1H3,(H,16,17,18)

Composition: C (37.44%), H (2.42%), Br (19.16%), I (30.43%), N (6.72%), O (3.84%)

Molar Mass: 417.044

Atom Count: 28

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 415.90212
Formal Charge 0
FSP3 0.08
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey KCCSFVHGTQCHHP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 85.32
Topological Polar Surface Area 41.99
Polarizability 31.91
Ring Count 2
Rotatable Bond Count 2

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95% <5 Days 760194-58-9 $2,200.00-$3,850.00$2,200.00$3,850.00
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