1-(2-Aminopyridin-3-yl)ethan-1-one

C₇H₈N₂OCAS 65326-33-2136.15 g/mol

Open in Covalent MOL file

Ketone Primary amine

Properties

Molecular formula: C₇H₈N₂O
Molar mass: 136.15 g/mol
Exact mass: 136.0637 Da
logP: 0.87Crippen estimate
Polar surface area: 56.0 Å²
H-bond donors / acceptors: 1 / 3
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

65326-33-2

SMILES

CC(=O)C1=C(N=CC=C1)N

InChIKey

BNVLGAQNNFJKHG-UHFFFAOYSA-N

InChI

InChI=1S/C7H8N2O/c1-5(10)6-3-2-4-9-7(6)8/h2-4H,1H3,(H2,8,9)

Weigh it out

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

Names and synonyms

1 names

2-Amino-3-acetylpyridine

Work with 1-(2-Aminopyridin-3-yl)ethan-1-one

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-Aminopyridine-3-carboxamide13438-65-861 % similar 2-Aminonicotinic acid5345-47-159 % similar 3-Acetyl-2-chloropyridine55676-21-659 % similar Methyl 2-aminopyridine-3-carboxylate14667-47-158 % similar Ethyl 2-aminopyridine-3-carboxylate13362-26-054 % similar 1,2-Diacetylbenzene704-00-752 % similar 2′-Aminoacetophenone551-93-952 % similar 2-Acetyl-3-pyridinecarboxylic acid89942-59-650 % similar

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

Same formula

2-Amino-5-methylnicotinaldehyde1023814-35-8 Nicotinyl methylamide114-33-0 3,4-Dihydro-2H-pyrido(3,2-b)(1,4)oxazine20348-23-6 2-Acetyl-3-methylpyrazine23787-80-6 4-Aminobenzamide2835-68-9 Salicylhydrazone3291-00-7 3-Aminobenzamide3544-24-9 2-Amino-4,5-dimethylfuran-3-carbonitrile5117-88-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook