chempirical

Methyl5-fluoro-6-methylpicolinate

C8H8FNO2CAS 1245647-61-3169.16 g/mol

Open in Covalent MOL file
NOOF
Aryl halideEster

Properties

Molecular formula
C8H8FNO2
Molar mass
169.16 g/mol
Exact mass
169.0539 Da
logP
1.32Crippen estimate
Polar surface area
39.2 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
1245647-61-3
SMILES
CC1=C(C=CC(=N1)C(=O)OC)F
InChIKey
IZTDWPKQBPEJHU-UHFFFAOYSA-N
InChI
InChI=1S/C8H8FNO2/c1-5-6(9)3-4-7(10-5)8(11)12-2/h3-4H,1-2H3

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Names and synonyms

1 names
  • Methyl 5-fluoro-6-methylpicolinate

Work with Methyl5-fluoro-6-methylpicolinate

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

6-Methylpyridine-2-carboxylic acid methyl ester13602-11-455 % similar Dimethyl 2,6-pyridinedicarboxylate5453-67-854 % similar 6-Fluoropyridine-2-carboxylic acid methyl ester455-71-054 % similar Methyl 5-fluoropyridine-2-carboxylate107504-07-450 % similar Methyl 5-chloro-6-methylpyrazine-2-carboxylate77168-85-550 % similar Methyl 3,4-difluorobenzoate369-25-549 % similar Methyl 7-azaindole-6-carboxylate1256825-86-148 % similar Methyl 2-chloropyrimidine-4-carboxylate149849-94-546 % similar

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

Same formula

Methyl 3-amino-2-fluorobenzoate1195768-18-3 (2-Fluorophenyl)glycine2343-27-3 Methyl 2-amino-5-fluorobenzoate319-24-4 3-Amino-4-fluorobenzoic acid methyl ester369-26-6 4-Fluorophenylglycine7292-73-1 α-Amino-3-fluorobenzeneacetic acid7292-74-2 3-Amino-5-fluorobenzoic acid methyl ester884497-46-5 D-(-)-4-Fluorophenylglycine93939-74-3

Elsewhere

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