Name: Name:1-(5-bromopyridin-2-yl)-3-methyl-1H-pyrazol-5(4H)-one
Brand: Angene
SKU: AG01BS5K
Rating: 90 (10 reviews)

1-(5-bromopyridin-2-yl)-3-methyl-1H-pyrazol-5(4H)-one

CAS No.:

1487824-34-9

Catalog Number:

AG01BS5K

Molecular Formula:

C9H8BrN3O

Molecular Weight:

254.0833

Catalog Number:

AG01BS5K

Chemical Name:

1-(5-bromopyridin-2-yl)-3-methyl-1H-pyrazol-5(4H)-one

CAS Number:

1487824-34-9

Molecular Formula:

C9H8BrN3O

Molecular Weight:

254.0833

MDL Number:

MFCD20997474

IUPAC Name:

2-(5-bromopyridin-2-yl)-5-methyl-4H-pyrazol-3-one

InChI:

InChI=1S/C9H8BrN3O/c1-6-4-9(14)13(12-6)8-3-2-7(10)5-11-8/h2-3,5H,4H2,1H3

InChI Key:

NSJVMAXCXXYWOY-UHFFFAOYSA-N

SMILES:

Brc1ccc(nc1)N1N=C(CC1=O)C

Complexity:

279

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

252.985g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

254.087g/mol

Monoisotopic Mass:

252.985g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

45.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2