Methyl2-chloro-5-fluoronicotinate

C₇H₅ClFNO₂CAS 847729-27-5189.57 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₇H₅ClFNO₂
Molar mass: 189.57 g/mol
Exact mass: 188.9993 Da
logP: 1.66Crippen estimate
Polar surface area: 39.2 Å²
H-bond donors / acceptors: 0 / 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

847729-27-5

SMILES

COC(=O)C1=C(N=CC(=C1)F)Cl

InChIKey

VYUNQTNDEVFXPO-UHFFFAOYSA-N

InChI

InChI=1S/C7H5ClFNO2/c1-12-7(11)5-2-4(9)3-10-6(5)8/h2-3H,1H3

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Names and synonyms

1 names

Methyl 2-chloro-5-fluoronicotinate

Work with Methyl2-chloro-5-fluoronicotinate

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

Ethyl 2-chloro-5-fluoro-3-pyridinecarboxylate139911-30-168 % similar Methyl 5-bromo-2-chloronicotinate78686-79-065 % similar 2-Chloro-5-fluoronicotinic acid38186-88-857 % similar Methyl 3,6-dichloropyridazine-4-carboxylate286946-24-554 % similar Methyl2,4-dichloropyrimidine-5-carboxylate3177-20-654 % similar Methyl 2-chloronicotinate40134-18-754 % similar Methyl 2-chloro-4-fluorobenzoate85953-29-352 % similar Methyl 5-fluoropyridine-2-carboxylate107504-07-451 % similar

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

Same formula

2-Chloro-4-fluoro-5-nitrotoluene112108-73-3 1-Chloro-2-fluoro-4-methyl-5-nitrobenzene118664-99-6 1-Chloro-5-fluoro-4-methyl-2-nitrobenzene18349-11-6

Elsewhere

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