2-chloro-4-(2-fluoro-5-methylphenoxy)pyrimidine

C11H8ClFN2O — CID 64854240

IUPAC2-chloro-4-(2-fluoro-5-methylphenoxy)pyrimidine
SMILESCc1ccc(F)c(Oc2ccnc(Cl)n2)c1
InChIInChI=1S/C11H8ClFN2O/c1-7-2-3-8(13)9(6-7)16-10-4-5-14-11(12)15-10/h2-6H,1H3
InChIKeyXWSDGBIZOFBGFI-UHFFFAOYSA-N
MW238.65 g/mol
LogP3.37
Rot. Bonds2

About 2-chloro-4-(2-fluoro-5-methylphenoxy)pyrimidine

2-chloro-4-(2-fluoro-5-methylphenoxy)pyrimidine (PubChem CID 64854240) has the molecular formula C11H8ClFN2O and a molecular weight of 238.65 g/mol. Its IUPAC name is 2-chloro-4-(2-fluoro-5-methylphenoxy)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2-fluoro-5-methylphenoxy)pyrimidine
PubChem CID64854240
Molecular FormulaC11H8ClFN2O
Molecular Weight238.65 g/mol
Exact Mass238.03
IUPAC Name2-chloro-4-(2-fluoro-5-methylphenoxy)pyrimidine
SMILESCc1ccc(F)c(Oc2ccnc(Cl)n2)c1
InChIInChI=1S/C11H8ClFN2O/c1-7-2-3-8(13)9(6-7)16-10-4-5-14-11(12)15-10/h2-6H,1H3
InChIKeyXWSDGBIZOFBGFI-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

2-bromo-6-(2-fluoro-5-methylphenoxy)pyridine
CID 64856365
2-chloro-4-(2-methylphenoxy)pyrimidine
CID 12679948
6-(2-fluoro-5-methylphenoxy)pyrimidine-2,4-diamine
CID 80877439
4-chloro-6-(2-fluoro-5-methylphenoxy)-2-propylpyrimidine
CID 80940227
2-(chloromethyl)-4-(2-fluoro-5-methylphenoxy)pyridine
CID 64855817
3-(2-fluoro-5-methylphenoxy)pyrazin-2-amine
CID 102988278
[6-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methanol
CID 66468669
5-chloro-4-(2-fluoro-5-methylphenoxy)-N-methylpyrimidin-2-amine
CID 80877850
4-(2,5-dimethylphenoxy)pyrimidin-2-amine
CID 80864136
2-(2-chloro-4-methylphenoxy)pyridin-4-amine
CID 62670410
2-chloro-4-(2-methyl-5-propan-2-ylphenoxy)pyrimidine
CID 62338137
5-bromo-4-(2-chloropyrimidin-4-yl)oxy-2-methylaniline
CID 155095425

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-fluoro-5-methylphenoxy)pyrimidine?
The IUPAC name of 2-chloro-4-(2-fluoro-5-methylphenoxy)pyrimidine (CID 64854240) is 2-chloro-4-(2-fluoro-5-methylphenoxy)pyrimidine.
What is the SMILES notation for 2-chloro-4-(2-fluoro-5-methylphenoxy)pyrimidine?
The canonical SMILES for 2-chloro-4-(2-fluoro-5-methylphenoxy)pyrimidine is Cc1ccc(F)c(Oc2ccnc(Cl)n2)c1.
What is the InChIKey of 2-chloro-4-(2-fluoro-5-methylphenoxy)pyrimidine?
The InChIKey is XWSDGBIZOFBGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O/c1-7-2-3-8(13)9(6-7)16-10-4-5-14-11(12)15-10/h2-6H,1H3.
What are the key properties of 2-chloro-4-(2-fluoro-5-methylphenoxy)pyrimidine?
2-chloro-4-(2-fluoro-5-methylphenoxy)pyrimidine 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 2-chloro-4-(2-fluoro-5-methylphenoxy)pyrimidine is sourced from PubChem (CID 64854240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).