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5-Bromo-N-methoxy-N-methylpyridine-2-carboxamide

5-Bromo-N-methoxy-N-methylpyridine-2-carboxamide - CAS 1211592-38-9

Catalog:	BB071585
Product Name:	5-Bromo-N-methoxy-N-methylpyridine-2-carboxamide
CAS:	1211592-38-9
Synonyms:	5-Bromo-N-methoxy-N-methylpicolinamide; 5-bromo-N-methoxy-N-methylpyridine-2-carboxamide; (3S,4S)-1-tert-butyl 3-ethyl 4-(cyanomethyl)pyrrolidine-1,3-dicarboxylate; 5-bromo-N-methoxy-N-methyl picolinamide

Technical Data

Computed Properties

IUPAC Name:	5-bromo-N-methoxy-N-methylpyridine-2-carboxamide
Description:	5-Bromo-N-methoxy-N-methylpyridine-2-carboxamide
Molecular Weight:	245.07
Molecular Formula:	C8H9BrN2O2
Canonical SMILES:	CN(C(=O)C1=NC=C(C=C1)Br)OC
InChI:	InChI=1S/C8H9BrN2O2/c1-11(13-2)8(12)7-4-3-6(9)5-10-7/h3-5H,1-2H3
InChI Key:	YQUKLNVJRGVRKM-UHFFFAOYSA-N

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Complexity:	189
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	243.98474
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	243.98474
Rotatable Bond Count:	2
Topological Polar Surface Area:	42.4Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4