chempirical

Imazapyr

C13H15N3O3CAS 81334-34-1261.28 g/mol

Open in Covalent MOL file
NHNOOHNO
AmidineCarboxylic acid

Properties

Molecular formula
C13H15N3O3
Molar mass
261.28 g/mol
Exact mass
261.1113 Da
Density
0.34 g/mL
Melting point
171 °C
logP
1.07Crippen estimate
Polar surface area
91.7 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3

Identifiers

CAS number
81334-34-1
SMILES
CC(C)C1(C)NC(c2ncccc2C(=O)O)=NC1=O
InChIKey
CLQMBPJKHLGMQK-UHFFFAOYSA-N
InChI
InChI=1S/C13H15N3O3/c1-7(2)13(3)12(19)15-10(16-13)9-8(11(17)18)5-4-6-14-9/h4-7H,1-3H3,(H,17,18)(H,15,16,19)

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

10 names
  • 3-Pyridinecarboxylic acid, 2-[4,5-dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-
  • 2-[4,5-Dihydro-4-methyl-4-(1-methylethyl)-5-oxo-1H-imidazol-2-yl]-3-pyridinecarboxylic acid
  • AC 243997
  • Chopper
  • Arsenal 250A
  • (±)-Imazapyr
  • 2-(4-Isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)nicotinic acid
  • Charper
  • Powerline
  • 2-(4-Isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-nicotinic acid

Work with Imazapyr

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Imazapic104098-48-867 % similar Imazaquin81335-37-764 % similar Imazethapyr81335-77-564 % similar Imazamox114311-32-961 % similar Quinolinic acid89-00-949 % similar 2-Acetyl-3-pyridinecarboxylic acid89942-59-647 % similar 2-Phenyl-3-pyridinecarboxylic acid33421-39-543 % similar 2-Methylnicotinic acid3222-56-841 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Glycyl-L-tryptophan2390-74-1 L-Tryptophanylglycine7360-09-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia