6-Fluoronicotinic acid methyl ester

C₇H₆FNO₂CAS 1427-06-1155.13 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₇H₆FNO₂
Molar mass: 155.13 g/mol
Exact mass: 155.0383 Da
logP: 1.01Crippen estimate
Polar surface area: 39.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed97.6% of notifiers
H318 Causes serious eye damage95.1% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, P501

Identifiers

CAS number

1427-06-1

SMILES

COC(=O)C1=CN=C(C=C1)F

InChIKey

HLYBWNNPVXFCPZ-UHFFFAOYSA-N

InChI

InChI=1S/C7H6FNO2/c1-11-7(10)5-2-3-6(8)9-4-5/h2-4H,1H3

Weigh it out

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

Names and synonyms

1 names

Methyl 6-fluoropyridine-3-carboxylate

Work with 6-Fluoronicotinic acid methyl ester

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

Methyl 6-chloropyridine-3-carboxylate73781-91-666 % similar Dimethyl pyridine-2,5-dicarboxylate881-86-765 % similar Methyl 6-methylnicotinate5470-70-263 % similar Methyl 6-bromopyridine-3-carboxylate26218-78-061 % similar Methyl 6-methoxynicotinate26218-80-461 % similar Methyl 6-aminonicotinate36052-24-161 % similar 5-Methyl 2,5-pyridinedicarboxylate17874-79-261 % similar Methyl 6-(trifluoromethyl)nicotinate221313-10-661 % similar

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

Same formula

Methyl 5-fluoropyridine-2-carboxylate107504-07-4 2-Fluoro-1-methyl-4-nitrobenzene1427-07-2 3-Amino-4-fluorobenzoic acid2365-85-7 1-Fluoro-3-methyl-2-nitrobenzene3013-27-2 5-Fluoro-2-methoxynicotinaldehyde351410-62-3 2-Amino-6-fluorobenzoic acid434-76-4 2-Fluoro-1-methyl-3-nitrobenzene437-86-5 2-Amino-5-fluorobenzoic acid446-08-2

Elsewhere

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