4-Methoxy-3-nitropyridine hydrochloride

C6H7ClN2O3CAS 31872-61-4190.58 g/mol

Open in Covalent MOL file
ONN+OO−HCl
EtherNitro

Properties

Molecular formula
C6H7ClN2O3
Molar mass
190.58 g/mol
Exact mass
190.0145 Da
logP
1.42Crippen estimate
Polar surface area
65.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
31872-61-4
SMILES
COC1=C(C=NC=C1)[N+](=O)[O-].Cl
InChIKey
RRJVDMBZMAGZGE-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2O3.ClH/c1-11-6-2-3-7-4-5(6)8(9)10;/h2-4H,1H3;1H

Weigh it out

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

Work with 4-Methoxy-3-nitropyridine hydrochloride

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-Methoxy-3-nitropyridine31872-62-5Free base

Similar compounds

4-Ethoxy-3-nitropyridine hydrochloride94602-04-768 % similar 4-Ethoxy-3-nitropyridine1796-84-561 % similar 4-Chloro-3-nitropyridine hydrochloride54079-68-459 % similar 1,2-Dimethoxy-4,5-dinitrobenzene3395-03-756 % similar O-Nitroanisole91-23-655 % similar 4-Methyl-3-nitropyridine5832-44-054 % similar 4-Chloro-3-nitropyridine13091-23-151 % similar 2,4-Dinitroanisole119-27-751 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Acetyl-1-chlorocarbonyl-2-imidazolidone41730-71-6

Elsewhere

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