Name: Name:2-[(5-bromopyridin-2-yl)sulfanyl]pyridine-3-carboxylic acid
Brand: Angene
SKU: AG019WWX
Rating: 90 (10 reviews)

2-[(5-bromopyridin-2-yl)sulfanyl]pyridine-3-carboxylic acid

CAS No.:

1016799-66-8

Catalog Number:

AG019WWX

Molecular Formula:

C11H7BrN2O2S

Molecular Weight:

311.1545

Catalog Number:

AG019WWX

Chemical Name:

2-[(5-bromopyridin-2-yl)sulfanyl]pyridine-3-carboxylic acid

CAS Number:

1016799-66-8

Molecular Formula:

C11H7BrN2O2S

Molecular Weight:

311.1545

MDL Number:

MFCD09940986

IUPAC Name:

2-(5-bromopyridin-2-yl)sulfanylpyridine-3-carboxylic acid

InChI:

InChI=1S/C11H7BrN2O2S/c12-7-3-4-9(14-6-7)17-10-8(11(15)16)2-1-5-13-10/h1-6H,(H,15,16)

InChI Key:

ANJURJMSRSVSPN-UHFFFAOYSA-N

SMILES:

Brc1ccc(nc1)Sc1ncccc1C(=O)O

Complexity:

280

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

309.941g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

311.153g/mol

Monoisotopic Mass:

309.941g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

88.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7