4,6-dichloro-2-(4-fluorophenyl)pyrimidine

C10H5Cl2FN2 — CID 53440049

IUPAC4,6-dichloro-2-(4-fluorophenyl)pyrimidine
SMILESFc1ccc(-c2nc(Cl)cc(Cl)n2)cc1
InChIInChI=1S/C10H5Cl2FN2/c11-8-5-9(12)15-10(14-8)6-1-3-7(13)4-2-6/h1-5H
InChIKeyYMNNLJCYQPKHEB-UHFFFAOYSA-N
MW243.07 g/mol
LogP3.59
Rot. Bonds1

About 4,6-dichloro-2-(4-fluorophenyl)pyrimidine

4,6-dichloro-2-(4-fluorophenyl)pyrimidine (PubChem CID 53440049) has the molecular formula C10H5Cl2FN2 and a molecular weight of 243.07 g/mol. Its IUPAC name is 4,6-dichloro-2-(4-fluorophenyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(4-fluorophenyl)pyrimidine
PubChem CID53440049
Molecular FormulaC10H5Cl2FN2
Molecular Weight243.07 g/mol
Exact Mass241.98
IUPAC Name4,6-dichloro-2-(4-fluorophenyl)pyrimidine
SMILESFc1ccc(-c2nc(Cl)cc(Cl)n2)cc1
InChIInChI=1S/C10H5Cl2FN2/c11-8-5-9(12)15-10(14-8)6-1-3-7(13)4-2-6/h1-5H
InChIKeyYMNNLJCYQPKHEB-UHFFFAOYSA-N
XLogP3.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.07
LogP ≤ 53.59
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-(4-fluorophenyl)pyrimidine?
The IUPAC name of 4,6-dichloro-2-(4-fluorophenyl)pyrimidine (CID 53440049) is 4,6-dichloro-2-(4-fluorophenyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(4-fluorophenyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-2-(4-fluorophenyl)pyrimidine is Fc1ccc(-c2nc(Cl)cc(Cl)n2)cc1.
What is the InChIKey of 4,6-dichloro-2-(4-fluorophenyl)pyrimidine?
The InChIKey is YMNNLJCYQPKHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2FN2/c11-8-5-9(12)15-10(14-8)6-1-3-7(13)4-2-6/h1-5H.
What are the key properties of 4,6-dichloro-2-(4-fluorophenyl)pyrimidine?
4,6-dichloro-2-(4-fluorophenyl)pyrimidine has a molecular weight of 243.07 g/mol, XLogP of 3.59, 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-(4-fluorophenyl)pyrimidine is sourced from PubChem (CID 53440049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).