Name: Name:2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrole-3-carboxylic acid
Brand: Angene
SKU: AG01B708
Rating: 90 (10 reviews)

2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrole-3-carboxylic acid

CAS No.:

954583-91-6

Catalog Number:

AG01B708

Molecular Formula:

C12H12N2O2

Molecular Weight:

216.2359

Catalog Number:

AG01B708

Chemical Name:

2,5-dimethyl-1-(pyridin-4-yl)-1H-pyrrole-3-carboxylic acid

CAS Number:

954583-91-6

Molecular Formula:

C12H12N2O2

Molecular Weight:

216.2359

MDL Number:

MFCD09740953

IUPAC Name:

2,5-dimethyl-1-pyridin-4-ylpyrrole-3-carboxylic acid

InChI:

InChI=1S/C12H12N2O2/c1-8-7-11(12(15)16)9(2)14(8)10-3-5-13-6-4-10/h3-7H,1-2H3,(H,15,16)

InChI Key:

ZQWLJAWEADFIJE-UHFFFAOYSA-N

SMILES:

OC(=O)c1cc(n(c1C)c1ccncc1)C

Complexity:

264

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

216.09g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

216.24g/mol

Monoisotopic Mass:

216.09g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6