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N-(2-bromo-5-cyanopyridin-3-yl)-2,2-dimethylpropanamide

N-(2-bromo-5-cyanopyridin-3-yl)-2,2-dimethylpropanamide

Formula: C11H12BrN3O

SMILES: CC(C)(C)C(=O)NC1=C(Br)N=CC(=C1)C#N

IUPAC: N-(2-bromo-5-cyanopyridin-3-yl)-2,2-dimethylpropanamide

InChI: InChI=1S/C11H12BrN3O/c1-11(2,3)10(16)15-8-4-7(5-13)6-14-9(8)12/h4,6H,1-3H3,(H,15,16)

Composition: C (46.83%), H (4.29%), Br (28.32%), N (14.89%), O (5.67%)

Molar Mass: 282.141

Atom Count: 28

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 281.016375
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey VYIPWTXWXNXZOX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.65
Topological Polar Surface Area 65.78
Polarizability 24.58
Ring Count 1
Rotatable Bond Count 2

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Purity (%)
-
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Days
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Molecule Market Select
Purity LeadTime Formula UnitPrice
98% <10 Days C11H12BrN3O Quote Only