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5-bromo-N-ethylpyridine-3-carboxamide

5-bromo-N-ethylpyridine-3-carboxamide

CAS: 173999-48-9

Formula: C8H9BrN2O

SMILES: CCNC(=O)C1=CN=CC(Br)=C1

IUPAC: 5-bromo-N-ethylpyridine-3-carboxamide

InChI: InChI=1S/C8H9BrN2O/c1-2-11-8(12)6-3-7(9)5-10-4-6/h3-5H,2H2,1H3,(H,11,12)

Composition: C (41.95%), H (3.96%), Br (34.88%), N (12.23%), O (6.98%)

Molar Mass: 229.077

Atom Count: 21

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 227.989826
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey LBNZQARQDQMTGO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.25
Topological Polar Surface Area 41.99
Polarizability 18.85
Ring Count 1
Rotatable Bond Count 2

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