chempirical

1H-Pyrrolo[3,2-B]pyridine-3-carboxaldehyde (9ci)

C8H6N2OCAS 276862-85-2146.15 g/mol

Open in Covalent MOL file
NHON
Aldehyde

Properties

Molecular formula
C8H6N2O
Molar mass
146.15 g/mol
Exact mass
146.0480 Da
logP
1.38Crippen estimate
Polar surface area
45.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
276862-85-2
SMILES
C1=CC2=C(C(=CN2)C=O)N=C1
InChIKey
JDIWXZAFVHTGBQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H6N2O/c11-5-6-4-10-7-2-1-3-9-8(6)7/h1-5,10H

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Names and synonyms

1 names
  • 1H-Pyrrolo[3,2-b]pyridine-3-carbaldehyde

Work with 1H-Pyrrolo[3,2-B]pyridine-3-carboxaldehyde (9ci)

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

7-Azaindole-3-carboxaldehyde4649-09-656 % similar Indole-3-carbaldehyde487-89-853 % similar 8-Quinolinecarboxaldehyde38707-70-951 % similar 2-Bromonicotinaldehyde128071-75-049 % similar 2-Chloro-3-pyridinecarboxaldehyde36404-88-344 % similar 2-Fluoro-3-pyridinecarboxaldehyde36404-90-744 % similar 2-Methylpyridine-3-carbaldehyde60032-57-744 % similar 2-Amino-3-pyridinecarboxaldehyde7521-41-744 % similar

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

Same formula

Imidazo[1,2-A]pyridine-6-carbaldehyde116355-16-9 Imidazo(1,2-a)pyridine-2-carbaldehyde118000-43-4 1(2H)-Phthalazinone119-39-1 2(1H)-Quinoxalinone1196-57-2 2-Cyanobenzamide17174-98-0 1H-Indazole-5-carboxaldehyde253801-04-6 1H-Pyrrolo(2,3-c)pyridine-3-carbaldehyde25957-65-7 4-Cyanobenzamide3034-34-2

Elsewhere

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