chempirical

2-Chloro-3-nitropyridine

C5H3ClN2O2CAS 34515-82-7158.54 g/mol

Open in Covalent MOL file
NClN+OO−
Aryl halideNitro

Properties

Molecular formula
C5H3ClN2O2
Molar mass
158.54 g/mol
Exact mass
157.9883 Da
logP
1.64Crippen estimate
Polar surface area
56.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
34515-82-7
SMILES
C1=CC(=C(N=C1)Cl)[N+](=O)[O-]
InChIKey
UUOLETYDNTVQDY-UHFFFAOYSA-N
InChI
InChI=1S/C5H3ClN2O2/c6-5-4(8(9)10)2-1-3-7-5/h1-3H

Weigh it out

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

Work with 2-Chloro-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

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.

2-Chloro-3-nitropyridine5470-18-8

Similar compounds

8-Nitroquinoline607-35-262 % similar 5-Nitroquinoline607-34-160 % similar 2-Fluoro-3-nitropyridine1480-87-159 % similar 2-Methyl-3-nitropyridine18699-87-159 % similar 2-Bromo-3-nitropyridine19755-53-459 % similar 3-Nitro-2(1H)-pyridinethione38240-29-859 % similar 2-Amino-3-nitropyridine4214-75-959 % similar 3-Nitro-2(1H)-pyridinone6332-56-559 % similar

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

Same formula

4-Chloro-3-nitropyridine13091-23-1 2-Chloropyrimidine-4-carboxylic acid149849-92-3 2-Chloro-4-nitropyridine23056-36-2 6-Chloropyrazine-2-carboxylic acid23688-89-3 3-Chloro-2-pyrazine-carboxylic acid27398-39-6 5-Chloro-2-pyrazinecarboxylic acid36070-80-1 6-Chloro-4-pyrimidinecarboxylic acid37131-91-2 2-Chloropyrimidine-5-carboxylic acid374068-01-6

Elsewhere

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