Name: Name:1-{5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl}-2-chloroethan-1-one
Brand: Angene
SKU: AG01B5S9
Rating: 90 (10 reviews)

1-{5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl}-2-chloroethan-1-one

CAS No.:

1351478-05-1

Catalog Number:

AG01B5S9

Molecular Formula:

C9H6BrClN2O

Molecular Weight:

273.5137

Catalog Number:

AG01B5S9

Chemical Name:

1-{5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl}-2-chloroethan-1-one

CAS Number:

1351478-05-1

Molecular Formula:

C9H6BrClN2O

Molecular Weight:

273.5137

MDL Number:

MFCD28662509

IUPAC Name:

1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-chloroethanone

InChI:

InChI=1S/C9H6BrClN2O/c10-5-1-6-7(8(14)2-11)4-13-9(6)12-3-5/h1,3-4H,2H2,(H,12,13)

InChI Key:

MNXYXGITZQLUFG-UHFFFAOYSA-N

SMILES:

ClCC(=O)c1c[nH]c2c1cc(Br)cn2

Complexity:

239

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

271.935g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

273.514g/mol

Monoisotopic Mass:

271.935g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

45.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3