4,6-dichloro-2-(2-chlorophenyl)-5-fluoropyrimidine

C10H4Cl3FN2 — CID 80550476

IUPAC4,6-dichloro-2-(2-chlorophenyl)-5-fluoropyrimidine
SMILESFc1c(Cl)nc(-c2ccccc2Cl)nc1Cl
InChIInChI=1S/C10H4Cl3FN2/c11-6-4-2-1-3-5(6)10-15-8(12)7(14)9(13)16-10/h1-4H
InChIKeyOTGABZJCUHBBGY-UHFFFAOYSA-N
MW277.51 g/mol
LogP4.24
Rot. Bonds1

About 4,6-dichloro-2-(2-chlorophenyl)-5-fluoropyrimidine

4,6-dichloro-2-(2-chlorophenyl)-5-fluoropyrimidine (PubChem CID 80550476) has the molecular formula C10H4Cl3FN2 and a molecular weight of 277.51 g/mol. Its IUPAC name is 4,6-dichloro-2-(2-chlorophenyl)-5-fluoropyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(2-chlorophenyl)-5-fluoropyrimidine
PubChem CID80550476
Molecular FormulaC10H4Cl3FN2
Molecular Weight277.51 g/mol
Exact Mass275.94
IUPAC Name4,6-dichloro-2-(2-chlorophenyl)-5-fluoropyrimidine
SMILESFc1c(Cl)nc(-c2ccccc2Cl)nc1Cl
InChIInChI=1S/C10H4Cl3FN2/c11-6-4-2-1-3-5(6)10-15-8(12)7(14)9(13)16-10/h1-4H
InChIKeyOTGABZJCUHBBGY-UHFFFAOYSA-N
XLogP4.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.51
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(2-chlorophenyl)-5-fluoropyrimidine?
The IUPAC name of 4,6-dichloro-2-(2-chlorophenyl)-5-fluoropyrimidine (CID 80550476) is 4,6-dichloro-2-(2-chlorophenyl)-5-fluoropyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(2-chlorophenyl)-5-fluoropyrimidine?
The canonical SMILES for 4,6-dichloro-2-(2-chlorophenyl)-5-fluoropyrimidine is Fc1c(Cl)nc(-c2ccccc2Cl)nc1Cl.
What is the InChIKey of 4,6-dichloro-2-(2-chlorophenyl)-5-fluoropyrimidine?
The InChIKey is OTGABZJCUHBBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl3FN2/c11-6-4-2-1-3-5(6)10-15-8(12)7(14)9(13)16-10/h1-4H.
What are the key properties of 4,6-dichloro-2-(2-chlorophenyl)-5-fluoropyrimidine?
4,6-dichloro-2-(2-chlorophenyl)-5-fluoropyrimidine has a molecular weight of 277.51 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(2-chlorophenyl)-5-fluoropyrimidine is sourced from PubChem (CID 80550476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).