3-bromo-N-methoxy-N-methylpyridine-2-carboxamide

3-bromo-N-methoxy-N-methylpyridine-2-carboxamide

CAS: 867353-49-9

Formula: C8H9BrN2O2

SMILES: CON(C)C(=O)C1=C(Br)C=CC=N1

IUPAC: 3-bromo-N-methoxy-N-methylpyridine-2-carboxamide

InChI: InChI=1S/C8H9BrN2O2/c1-11(13-2)8(12)7-6(9)4-3-5-10-7/h3-5H,1-2H3

Composition: C (39.21%), H (3.70%), Br (32.60%), N (11.43%), O (13.06%)

Molar Mass: 245.076

Atom Count: 22

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	243.984741
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	RNXGJIVYTZGDJU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.37
Topological Polar Surface Area	42.43
Polarizability	19.64
Ring Count	1
Rotatable Bond Count	2

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