6-Chloro-2-methoxy-3-nitropyridine

C6H5ClN2O3CAS 40851-91-0188.57 g/mol

Open in Covalent MOL file
ONClN+OO−
Aryl halideEtherNitro

Properties

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

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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

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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