chempirical

(R)-3-(1-(2,6-Dichloro-3-fluorophenyl)ethoxy)-2-nitropyridine

C13H9Cl2FN2O3CAS 877397-70-1331.12 g/mol

Open in Covalent MOL file
ClFClONN+OO−
Aryl halideEtherNitro

Properties

Molecular formula
C13H9Cl2FN2O3
Molar mass
331.12 g/mol
Exact mass
329.9974 Da
logP
4.58Crippen estimate
Polar surface area
65.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4
Stereocentres
Rin SMILES atom order

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
877397-70-1
SMILES
C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC=C2)[N+](=O)[O-]
InChIKey
VGDOUCIQKWTGJY-SSDOTTSWSA-N
InChI
InChI=1S/C13H9Cl2FN2O3/c1-7(11-8(14)4-5-9(16)12(11)15)21-10-3-2-6-17-13(10)18(19)20/h2-7H,1H3/t7-/m1/s1

Weigh it out

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Work with (R)-3-(1-(2,6-Dichloro-3-fluorophenyl)ethoxy)-2-nitropyridine

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

5-Bromo-3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-2-pyridinamine877399-00-348 % similar 3-Methoxy-2-nitropyridine20265-37-645 % similar 3-Chloro-2-nitropyridine54231-32-245 % similar 3-Fluoro-2-nitropyridine54231-35-545 % similar 3-Ethoxy-2-nitropyridine74037-50-643 % similar (S)-Crizotinib1374356-45-241 % similar Crizotinib877399-52-541 % similar 2-(2-Fluorophenoxy)-3-nitropyridine175135-65-640 % similar

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

Elsewhere

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