4-Chloro-6-ethyl-5-fluoropyrimidine

C6H6ClFN2CAS 137234-74-3160.58 g/mol

Open in Covalent MOL file
NNClF
Aryl halide

Properties

Molecular formula
C6H6ClFN2
Molar mass
160.58 g/mol
Exact mass
160.0204 Da
logP
1.83Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 31 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
137234-74-3
SMILES
CCc1ncnc(Cl)c1F
InChIKey
LKTGVRWVTAJGMS-UHFFFAOYSA-N
InChI
InChI=1S/C6H6ClFN2/c1-2-4-5(8)6(7)10-3-9-4/h3H,2H2,1H3

Weigh it out

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

Names and synonyms

1 names
  • Pyrimidine, 4-chloro-6-ethyl-5-fluoro-

Work with 4-Chloro-6-ethyl-5-fluoropyrimidine

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

4,5-Dichloro-6-ethylpyrimidine115617-41-961 % similar 4,6-Dichloro-5-fluoropyrimidine213265-83-959 % similar 6-Ethyl-5-fluoro-4(3H)-pyrimidinone137234-87-858 % similar 6-Chloro-5-fluoropyrimidin-4-amine851984-15-148 % similar 4-(1-Bromoethyl)-6-chloro-5-fluoropyrimidine188416-28-645 % similar 4-Ethyl-5-fluoropyrimidine137234-88-943 % similar 2-Chloro-3-fluoro-4-methylpyridine881891-82-339 % similar 4,6-Dichloro-5-methylpyrimidine4316-97-639 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Chloro-5-fluoro-O-phenylenediamine139512-70-2 3-Chloro-4-fluorophenylhydrazine84282-78-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook