chempirical

4′-Methyl[2,2′-bipyridine]-4-carboxaldehyde

C12H10N2OCAS 104704-09-8198.23 g/mol

Open in Covalent MOL file
NON
Aldehyde

Properties

Molecular formula
C12H10N2O
Molar mass
198.23 g/mol
Exact mass
198.0793 Da
Melting point
130–131 °C
logP
2.26Crippen estimate
Polar surface area
42.9 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

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
104704-09-8
SMILES
Cc1ccnc(-c2cc(C=O)ccn2)c1
InChIKey
SMPJZGCAUYUJJE-UHFFFAOYSA-N
InChI
InChI=1S/C12H10N2O/c1-9-2-4-13-11(6-9)12-7-10(8-15)3-5-14-12/h2-8H,1H3

Weigh it out

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

Names and synonyms

14 names · show all
  • [2,2′-Bipyridine]-4-carboxaldehyde, 4′-methyl-
  • 4-Methyl-2,2′-bipyridine-4′-carbaldehyde
  • 4-Methyl-2,2′-bipyridine-4′-carboxaldehyde
  • 4-Formyl-4′-methyl-2,2′-bipyridine
  • 4-Carboxaldehyde-4′-methyl-2,2′-bipyridine
  • 4′-Formyl-4-methyl-2,2′-bipyridyl
  • 4-(4′-Methyl-2,2′-bipyridyl)carboxaldehyde
  • 4′-Methyl-2,2′-bipyridyl-4-carboxaldehyde
  • 4′-Dimethyl-2,2′-bipyridine-4-carboxaldehyde
  • 4′-Methyl-2,2′-bipyridine-4-carbaldehyde
  • 4′-Methyl-2,2′-bipyridine-4-carboxaldehyde
  • 4-Carbaldehyde-4,-methyl-2,2′-bipyridyl
  • 4-Methyl-4-carbonyl-2,2-bipyridine
  • 2-(4-Methylpyridin-2-yl)pyridine-4-carbaldehyde

Work with 4′-Methyl[2,2′-bipyridine]-4-carboxaldehyde

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

2 2'-Bipyridine-4 4'-dicarboxaldehyde99970-84-075 % similar 4,4′-Dimethyl-2,2′-bipyridine1134-35-664 % similar 4-Methylpyridine-2-carbaldehyde53547-60-758 % similar 2-Methylisonicotinaldehyde63875-01-458 % similar 3-Methylbenzaldehyde620-23-552 % similar 2-Methoxypyridine-4-carbaldehyde72716-87-149 % similar 2-Chloro-4-pyridinecarboxaldehyde101066-61-949 % similar 2-Bromo-4-pyridinecarboxaldehyde118289-17-149 % similar

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

Same formula

4-Nitrosodiphenylamine156-10-5 Solvent yellow 71689-82-3 Nicotinanilide1752-96-1 Phenyl 2-pyridyl ketoxime1826-28-4 2-(2-Aminobenzoyl)pyridine42471-56-7 Azoxybenzene495-48-7 4,5-Phenanthroline monohydrate5144-89-8 N-Nitrosodiphenylamine86-30-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook