6-Chloro-2-methoxy-3-nitropyridine

C₆H₅ClN₂O₃CAS 40851-91-0188.57 g/mol

Open in Covalent MOL file

Aryl halide Ether Nitro

Properties

Molecular formula: C₆H₅ClN₂O₃
Molar mass: 188.57 g/mol
Exact mass: 187.9989 Da
logP: 1.65Crippen estimate
Polar surface area: 65.3 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

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

40851-91-0

SMILES

COC1=C(C=CC(=N1)Cl)[N+](=O)[O-]

InChIKey

OVVBXVJFGCFEFK-UHFFFAOYSA-N

InChI

InChI=1S/C6H5ClN2O3/c1-12-6-4(9(10)11)2-3-5(7)8-6/h2-3H,1H3

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Work with 6-Chloro-2-methoxy-3-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

2,6-Dimethoxy-3-nitropyridine18677-41-368 % similar 2-Methoxy-6-methyl-3-nitropyridine112163-03-866 % similar 6-Chloro-2-methyl-3-nitropyridine22280-60-065 % similar 2,6-Dichloro-3-nitropyridine16013-85-759 % similar 2-Amino-6-chloro-3-nitropyridine136901-10-556 % similar 2-Amino-6-chloro-3-nitropyridine27048-04-056 % similar 2-Methoxy-3-nitropyridine20265-35-455 % similar 2-Methoxy-5-nitro-6-picoline5467-69-654 % similar

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

Same formula

2-Chloro-6-methoxy-3-nitropyridine38533-61-8 2-Amino-4-chloro-5-nitrophenol6358-07-2 2-Amino-4-chloro-6-nitrophenol6358-08-3 2-Amino-6-chloro-4-nitrophenol6358-09-4

Elsewhere

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