4-chloro-6-(3-chloro-4-fluorophenoxy)-2-methylpyrimidine

C11H7Cl2FN2O — CID 52840210

IUPAC4-chloro-6-(3-chloro-4-fluorophenoxy)-2-methylpyrimidine
SMILESCc1nc(Cl)cc(Oc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C11H7Cl2FN2O/c1-6-15-10(13)5-11(16-6)17-7-2-3-9(14)8(12)4-7/h2-5H,1H3
InChIKeyYHTLYHQHHDEWFD-UHFFFAOYSA-N
MW273.09 g/mol
LogP4.02
Rot. Bonds2

About 4-chloro-6-(3-chloro-4-fluorophenoxy)-2-methylpyrimidine

4-chloro-6-(3-chloro-4-fluorophenoxy)-2-methylpyrimidine (PubChem CID 52840210) has the molecular formula C11H7Cl2FN2O and a molecular weight of 273.09 g/mol. Its IUPAC name is 4-chloro-6-(3-chloro-4-fluorophenoxy)-2-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3-chloro-4-fluorophenoxy)-2-methylpyrimidine
PubChem CID52840210
Molecular FormulaC11H7Cl2FN2O
Molecular Weight273.09 g/mol
Exact Mass271.99
IUPAC Name4-chloro-6-(3-chloro-4-fluorophenoxy)-2-methylpyrimidine
SMILESCc1nc(Cl)cc(Oc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C11H7Cl2FN2O/c1-6-15-10(13)5-11(16-6)17-7-2-3-9(14)8(12)4-7/h2-5H,1H3
InChIKeyYHTLYHQHHDEWFD-UHFFFAOYSA-N
XLogP4.02
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.09
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-chloro-4-fluorophenoxy)-2-methylpyrimidine?
The IUPAC name of 4-chloro-6-(3-chloro-4-fluorophenoxy)-2-methylpyrimidine (CID 52840210) is 4-chloro-6-(3-chloro-4-fluorophenoxy)-2-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-(3-chloro-4-fluorophenoxy)-2-methylpyrimidine?
The canonical SMILES for 4-chloro-6-(3-chloro-4-fluorophenoxy)-2-methylpyrimidine is Cc1nc(Cl)cc(Oc2ccc(F)c(Cl)c2)n1.
What is the InChIKey of 4-chloro-6-(3-chloro-4-fluorophenoxy)-2-methylpyrimidine?
The InChIKey is YHTLYHQHHDEWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2FN2O/c1-6-15-10(13)5-11(16-6)17-7-2-3-9(14)8(12)4-7/h2-5H,1H3.
What are the key properties of 4-chloro-6-(3-chloro-4-fluorophenoxy)-2-methylpyrimidine?
4-chloro-6-(3-chloro-4-fluorophenoxy)-2-methylpyrimidine has a molecular weight of 273.09 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-chloro-4-fluorophenoxy)-2-methylpyrimidine is sourced from PubChem (CID 52840210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).