2,4-Dichloro-6-methyl-5-nitropyrimidine

C5H3Cl2N3O2CAS 13162-26-0208.00 g/mol

Open in Covalent MOL file
NNClClN+OO−
Aryl halideNitro

Properties

Molecular formula
C5H3Cl2N3O2
Molar mass
208.00 g/mol
Exact mass
206.9602 Da
logP
2.00Crippen estimate
Polar surface area
68.9 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1

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
13162-26-0
SMILES
CC1=C(C(=NC(=N1)Cl)Cl)[N+](=O)[O-]
InChIKey
NBCOZXBHPKSFSA-UHFFFAOYSA-N
InChI
InChI=1S/C5H3Cl2N3O2/c1-2-3(10(11)12)4(6)9-5(7)8-2/h1H3

Weigh it out

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

Work with 2,4-Dichloro-6-methyl-5-nitropyrimidine

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

2,4,6-Trichloro-5-nitropyrimidine4359-87-973 % similar 4-Chloro-2,6-dimethyl-3-nitropyridine15513-48-154 % similar 2,6-Dichloro-4-methyl-3-nitropyridine60010-03-954 % similar 2,4-Dichloro-6-methyl-3-nitropyridine63897-12-154 % similar 4,6-Dichloro-5-nitropyrimidine4316-93-249 % similar 3-Bromo-6-chloro-2-methyl-5-nitropyridine186413-75-248 % similar 3-Bromo-2-chloro-6-methyl-5-nitropyridine856834-95-248 % similar 2-Chloro-4-methyl-3-nitropyridine23056-39-548 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,6-Dichloro-3-nitro-4-aminopyridine2897-43-0 2-Amino-4,5-dichloro-3-nitropyridine662116-67-8

Elsewhere

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