2-chloro-4-(4-fluorophenoxy)-6-methylpyrimidine;4-fluorophenol

C17H13ClF2N2O2 — CID 87523274

IUPAC2-chloro-4-(4-fluorophenoxy)-6-methylpyrimidine;4-fluorophenol
SMILESCc1cc(Oc2ccc(F)cc2)nc(Cl)n1.Oc1ccc(F)cc1
InChIInChI=1S/C11H8ClFN2O.C6H5FO/c1-7-6-10(15-11(12)14-7)16-9-4-2-8(13)3-5-9;7-5-1-3-6(8)4-2-5/h2-6H,1H3;1-4,8H
InChIKeyVATLPAWLWGOXJP-UHFFFAOYSA-N
MW350.75 g/mol
LogP4.90
Rot. Bonds2

About 2-chloro-4-(4-fluorophenoxy)-6-methylpyrimidine;4-fluorophenol

2-chloro-4-(4-fluorophenoxy)-6-methylpyrimidine;4-fluorophenol (PubChem CID 87523274) has the molecular formula C17H13ClF2N2O2 and a molecular weight of 350.75 g/mol. Its IUPAC name is 2-chloro-4-(4-fluorophenoxy)-6-methylpyrimidine;4-fluorophenol.

Molecular Properties

Compound Name2-chloro-4-(4-fluorophenoxy)-6-methylpyrimidine;4-fluorophenol
PubChem CID87523274
Molecular FormulaC17H13ClF2N2O2
Molecular Weight350.75 g/mol
Exact Mass350.06
IUPAC Name2-chloro-4-(4-fluorophenoxy)-6-methylpyrimidine;4-fluorophenol
SMILESCc1cc(Oc2ccc(F)cc2)nc(Cl)n1.Oc1ccc(F)cc1
InChIInChI=1S/C11H8ClFN2O.C6H5FO/c1-7-6-10(15-11(12)14-7)16-9-4-2-8(13)3-5-9;7-5-1-3-6(8)4-2-5/h2-6H,1H3;1-4,8H
InChIKeyVATLPAWLWGOXJP-UHFFFAOYSA-N
XLogP4.90
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.75
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-fluorophenoxy)-6-methylpyrimidine;4-fluorophenol?
The IUPAC name of 2-chloro-4-(4-fluorophenoxy)-6-methylpyrimidine;4-fluorophenol (CID 87523274) is 2-chloro-4-(4-fluorophenoxy)-6-methylpyrimidine;4-fluorophenol.
What is the SMILES notation for 2-chloro-4-(4-fluorophenoxy)-6-methylpyrimidine;4-fluorophenol?
The canonical SMILES for 2-chloro-4-(4-fluorophenoxy)-6-methylpyrimidine;4-fluorophenol is Cc1cc(Oc2ccc(F)cc2)nc(Cl)n1.Oc1ccc(F)cc1.
What is the InChIKey of 2-chloro-4-(4-fluorophenoxy)-6-methylpyrimidine;4-fluorophenol?
The InChIKey is VATLPAWLWGOXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O.C6H5FO/c1-7-6-10(15-11(12)14-7)16-9-4-2-8(13)3-5-9;7-5-1-3-6(8)4-2-5/h2-6H,1H3;1-4,8H.
What are the key properties of 2-chloro-4-(4-fluorophenoxy)-6-methylpyrimidine;4-fluorophenol?
2-chloro-4-(4-fluorophenoxy)-6-methylpyrimidine;4-fluorophenol has a molecular weight of 350.75 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-fluorophenoxy)-6-methylpyrimidine;4-fluorophenol is sourced from PubChem (CID 87523274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).