chempirical

Mpep

C14H11NCAS 96206-92-7193.25 g/mol

Open in Covalent MOL file
N
Alkyne

Properties

Molecular formula
C14H11N
Molar mass
193.25 g/mol
Exact mass
193.0891 Da
Melting point
45–45.5 °C
Boiling point
124.5–126.5 °C (at 0.5 Torr)
logP
2.79Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
96206-92-7
SMILES
Cc1cccc(C#Cc2ccccc2)n1
InChIKey
NEWKHUASLBMWRE-UHFFFAOYSA-N
InChI
InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3

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Names and synonyms

5 names
  • Pyridine, 2-methyl-6-(2-phenylethynyl)-
  • Pyridine, 2-methyl-6-(phenylethynyl)-
  • 2-Picoline, 6-phenylethynyl-
  • 2-Methyl-6-(2-phenylethynyl)pyridine
  • 2-Methyl-6-(phenylethynyl)pyridine

Work with Mpep

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-Methyl-6-(phenylethynyl)pyridine hydrochloride219911-35-090 % similar 2,6-Lutidine108-48-548 % similar 1,4-Bis(2-phenylethynyl)benzene1849-27-044 % similar 6,6′-Dimethyl-2,2′-bipyridine4411-80-743 % similar 2-Diphenylphosphino-6-methylpyridine132682-77-042 % similar 2-Chloro-6-methylpyridine18368-63-341 % similar 2-Ethenyl-6-methylpyridine1122-70-940 % similar 2-Amino-6-methylpyridine1824-81-339 % similar

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

Same formula

2-Cyano-4′-methylbiphenyl114772-53-1 N-Vinylcarbazole1484-13-5 Polyvinylcarbazole25067-59-8 Dibenzazepine256-96-2 4′-Methyl[1,1′-biphenyl]-4-carbonitrile50670-50-3 Anthramine610-49-1 9-Methylacridine611-64-3 2-Aminoanthracene613-13-8

Elsewhere

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