4-(2-chlorophenoxy)-5-fluoro-6-methylpyrimidine

C11H8ClFN2O — CID 22897540

IUPAC4-(2-chlorophenoxy)-5-fluoro-6-methylpyrimidine
SMILESCc1ncnc(Oc2ccccc2Cl)c1F
InChIInChI=1S/C11H8ClFN2O/c1-7-10(13)11(15-6-14-7)16-9-5-3-2-4-8(9)12/h2-6H,1H3
InChIKeyIZFVDJFDJWSCGB-UHFFFAOYSA-N
MW238.65 g/mol
LogP3.37
Rot. Bonds2

About 4-(2-chlorophenoxy)-5-fluoro-6-methylpyrimidine

4-(2-chlorophenoxy)-5-fluoro-6-methylpyrimidine (PubChem CID 22897540) has the molecular formula C11H8ClFN2O and a molecular weight of 238.65 g/mol. Its IUPAC name is 4-(2-chlorophenoxy)-5-fluoro-6-methylpyrimidine.

Molecular Properties

Compound Name4-(2-chlorophenoxy)-5-fluoro-6-methylpyrimidine
PubChem CID22897540
Molecular FormulaC11H8ClFN2O
Molecular Weight238.65 g/mol
Exact Mass238.03
IUPAC Name4-(2-chlorophenoxy)-5-fluoro-6-methylpyrimidine
SMILESCc1ncnc(Oc2ccccc2Cl)c1F
InChIInChI=1S/C11H8ClFN2O/c1-7-10(13)11(15-6-14-7)16-9-5-3-2-4-8(9)12/h2-6H,1H3
InChIKeyIZFVDJFDJWSCGB-UHFFFAOYSA-N
XLogP3.37
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.65
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 901073
CID 901073
CID 1478446
CID 1478446
CID 3079025
CID 3079025
CID 1483213
CID 1483213
CID 1483227
CID 1483227
CID 1483251
CID 1483251
CID 1483263
CID 1483263
CID 1811330
CID 1811330
CID 11230678
CID 11230678
CID 11593677
CID 11593677
CID 14724240
CID 14724240
CID 1483262
CID 1483262

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenoxy)-5-fluoro-6-methylpyrimidine?
The IUPAC name of 4-(2-chlorophenoxy)-5-fluoro-6-methylpyrimidine (CID 22897540) is 4-(2-chlorophenoxy)-5-fluoro-6-methylpyrimidine.
What is the SMILES notation for 4-(2-chlorophenoxy)-5-fluoro-6-methylpyrimidine?
The canonical SMILES for 4-(2-chlorophenoxy)-5-fluoro-6-methylpyrimidine is Cc1ncnc(Oc2ccccc2Cl)c1F.
What is the InChIKey of 4-(2-chlorophenoxy)-5-fluoro-6-methylpyrimidine?
The InChIKey is IZFVDJFDJWSCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O/c1-7-10(13)11(15-6-14-7)16-9-5-3-2-4-8(9)12/h2-6H,1H3.
What are the key properties of 4-(2-chlorophenoxy)-5-fluoro-6-methylpyrimidine?
4-(2-chlorophenoxy)-5-fluoro-6-methylpyrimidine has a molecular weight of 238.65 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenoxy)-5-fluoro-6-methylpyrimidine is sourced from PubChem (CID 22897540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).