Name: Name:2-PYRIDIN-3-YL-3H-BENZOIMIDAZOLE-5-CARBOXYLIC ACID
Brand: Angene
SKU: AG00C1QK
Rating: 90 (10 reviews)

2-PYRIDIN-3-YL-3H-BENZOIMIDAZOLE-5-CARBOXYLIC ACID

CAS No.:

312496-16-5

Catalog Number:

AG00C1QK

Molecular Formula:

C13H9N3O2

Molecular Weight:

239.2295

Catalog Number:

AG00C1QK

Chemical Name:

2-PYRIDIN-3-YL-3H-BENZOIMIDAZOLE-5-CARBOXYLIC ACID

CAS Number:

312496-16-5

Molecular Formula:

C13H9N3O2

Molecular Weight:

239.2295

MDL Number:

MFCD01414693

IUPAC Name:

2-pyridin-3-yl-3H-benzimidazole-5-carboxylic acid

InChI:

InChI=1S/C13H9N3O2/c17-13(18)8-3-4-10-11(6-8)16-12(15-10)9-2-1-5-14-7-9/h1-7H,(H,15,16)(H,17,18)

InChI Key:

DHRPCXYIVJXXJR-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc2c(c1)[nH]c(n2)c1cccnc1

Complexity:

323

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

239.069g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

239.234g/mol

Monoisotopic Mass:

239.069g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

78.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6