4-Ethoxy-3-nitropyridine hydrochloride

C7H9ClN2O3CAS 94602-04-7204.61 g/mol

Open in Covalent MOL file
ONN+OO−HCl
EtherNitro

Properties

Molecular formula
C7H9ClN2O3
Molar mass
204.61 g/mol
Exact mass
204.0302 Da
logP
1.81Crippen estimate
Polar surface area
65.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 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
94602-04-7
SMILES
CCOC1=C(C=NC=C1)[N+](=O)[O-].Cl
InChIKey
HNMWMLXQJBWURC-UHFFFAOYSA-N
InChI
InChI=1S/C7H8N2O3.ClH/c1-2-12-7-3-4-8-5-6(7)9(10)11;/h3-5H,2H2,1H3;1H

Weigh it out

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

Work with 4-Ethoxy-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-Ethoxy-3-nitropyridine1796-84-5Free base

Similar compounds

4-Methoxy-3-nitropyridine hydrochloride31872-61-468 % similar 4-Methoxy-3-nitropyridine31872-62-561 % similar 1-Ethoxy-2-nitrobenzene610-67-359 % similar 4-Chloro-3-nitropyridine hydrochloride54079-68-455 % similar 1,4-Diethoxy-2-nitrobenzene119-23-355 % similar 3-Ethoxy-2-nitropyridine74037-50-653 % similar 4-Methyl-3-nitropyridine5832-44-050 % similar 4-Chloro-3-nitropyridine13091-23-148 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

O-(p-Nitrobenzyl)hydroxylamine hydrochloride2086-26-2 4-Ethyl-2,3-dioxopiperazinecarbonyl chloride59703-00-3 2-Methoxy-5-nitroaniline hydrochloride67827-72-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook