4,6-dichloro-2-[(4-fluorophenoxy)methyl]pyrimidine

C11H7Cl2FN2O — CID 82169646

IUPAC4,6-dichloro-2-[(4-fluorophenoxy)methyl]pyrimidine
SMILESFc1ccc(OCc2nc(Cl)cc(Cl)n2)cc1
InChIInChI=1S/C11H7Cl2FN2O/c12-9-5-10(13)16-11(15-9)6-17-8-3-1-7(14)2-4-8/h1-5H,6H2
InChIKeyHPGNWOSDDRVLFU-UHFFFAOYSA-N
MW273.09 g/mol
LogP3.50
Rot. Bonds3

About 4,6-dichloro-2-[(4-fluorophenoxy)methyl]pyrimidine

4,6-dichloro-2-[(4-fluorophenoxy)methyl]pyrimidine (PubChem CID 82169646) has the molecular formula C11H7Cl2FN2O and a molecular weight of 273.09 g/mol. Its IUPAC name is 4,6-dichloro-2-[(4-fluorophenoxy)methyl]pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-[(4-fluorophenoxy)methyl]pyrimidine
PubChem CID82169646
Molecular FormulaC11H7Cl2FN2O
Molecular Weight273.09 g/mol
Exact Mass271.99
IUPAC Name4,6-dichloro-2-[(4-fluorophenoxy)methyl]pyrimidine
SMILESFc1ccc(OCc2nc(Cl)cc(Cl)n2)cc1
InChIInChI=1S/C11H7Cl2FN2O/c12-9-5-10(13)16-11(15-9)6-17-8-3-1-7(14)2-4-8/h1-5H,6H2
InChIKeyHPGNWOSDDRVLFU-UHFFFAOYSA-N
XLogP3.50
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.09
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-[(4-fluorophenoxy)methyl]pyrimidine?
The IUPAC name of 4,6-dichloro-2-[(4-fluorophenoxy)methyl]pyrimidine (CID 82169646) is 4,6-dichloro-2-[(4-fluorophenoxy)methyl]pyrimidine.
What is the SMILES notation for 4,6-dichloro-2-[(4-fluorophenoxy)methyl]pyrimidine?
The canonical SMILES for 4,6-dichloro-2-[(4-fluorophenoxy)methyl]pyrimidine is Fc1ccc(OCc2nc(Cl)cc(Cl)n2)cc1.
What is the InChIKey of 4,6-dichloro-2-[(4-fluorophenoxy)methyl]pyrimidine?
The InChIKey is HPGNWOSDDRVLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2FN2O/c12-9-5-10(13)16-11(15-9)6-17-8-3-1-7(14)2-4-8/h1-5H,6H2.
What are the key properties of 4,6-dichloro-2-[(4-fluorophenoxy)methyl]pyrimidine?
4,6-dichloro-2-[(4-fluorophenoxy)methyl]pyrimidine has a molecular weight of 273.09 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-[(4-fluorophenoxy)methyl]pyrimidine is sourced from PubChem (CID 82169646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).