chempirical

Ethyl 1H-pyrrolo(3,2-b)pyridine-2-carboxylate

C10H10N2O2CAS 17288-32-3190.20 g/mol

Open in Covalent MOL file
OONHN
Ester

Properties

Molecular formula
C10H10N2O2
Molar mass
190.20 g/mol
Exact mass
190.0742 Da
logP
1.74Crippen estimate
Polar surface area
55.0 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
17288-32-3
SMILES
CCOC(=O)C1=CC2=C(N1)C=CC=N2
InChIKey
NOWHXIDXMNNYBL-UHFFFAOYSA-N
InChI
InChI=1S/C10H10N2O2/c1-2-14-10(13)9-6-8-7(12-9)4-3-5-11-8/h3-6,12H,2H2,1H3

Weigh it out

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

Names and synonyms

1 names
  • 1H-Pyrrolo[3,2-B]pyridine-2-carboxylic acid ethyl ester

Work with Ethyl 1H-pyrrolo(3,2-b)pyridine-2-carboxylate

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

4-Bromoindole-2-carboxylic acid ethyl ester103858-52-259 % similar Ethyl 5-hydroxy-1H-indole-2-carboxylate24985-85-151 % similar Ethyl 6-fluoro-1H-indole-2-carboxylate348-37-851 % similar Ethyl 5-chloro-1H-indole-2-carboxylate4792-67-051 % similar Ethyl 2-methyl-3-pyridinecarboxylate1721-26-250 % similar Ethyl 2-pyridinecarboxylate2524-52-950 % similar Ethyl 5-methoxy-1H-indole-2-carboxylate4792-58-950 % similar 1,3-Diethyl 1,3-benzenedicarboxylate636-53-348 % similar

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

Same formula

Methyl 4-amino-6-indolecarboxylate121561-15-7 3-Benzoimidazol-1-yl-propionic acid14840-18-7 Ethyl pyrazolo(1,5-a)pyridine-3-carboxylate16205-44-0 L-4-Cyanophenylalanine167479-78-9 1H-Benzoimidazole-2-carboxylic acid ethyl ester1865-09-4 2,3-Dimethyl-5-nitro-1H-indole21296-94-6 1H-Benzimidazole-2-propanoic acid23249-97-0 2-Cyano-D-phenylalanine263396-41-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook