2-chloro-5-fluoro-4-(2,3,6-trimethylphenoxy)pyrimidine

C13H12ClFN2O — CID 79081049

IUPAC2-chloro-5-fluoro-4-(2,3,6-trimethylphenoxy)pyrimidine
SMILESCc1ccc(C)c(Oc2nc(Cl)ncc2F)c1C
InChIInChI=1S/C13H12ClFN2O/c1-7-4-5-8(2)11(9(7)3)18-12-10(15)6-16-13(14)17-12/h4-6H,1-3H3
InChIKeyHXAQHHGHHQRHNI-UHFFFAOYSA-N
MW266.70 g/mol
LogP3.99
Rot. Bonds2

About 2-chloro-5-fluoro-4-(2,3,6-trimethylphenoxy)pyrimidine

2-chloro-5-fluoro-4-(2,3,6-trimethylphenoxy)pyrimidine (PubChem CID 79081049) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-(2,3,6-trimethylphenoxy)pyrimidine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-(2,3,6-trimethylphenoxy)pyrimidine
PubChem CID79081049
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name2-chloro-5-fluoro-4-(2,3,6-trimethylphenoxy)pyrimidine
SMILESCc1ccc(C)c(Oc2nc(Cl)ncc2F)c1C
InChIInChI=1S/C13H12ClFN2O/c1-7-4-5-8(2)11(9(7)3)18-12-10(15)6-16-13(14)17-12/h4-6H,1-3H3
InChIKeyHXAQHHGHHQRHNI-UHFFFAOYSA-N
XLogP3.99
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-(2,3,6-trimethylphenoxy)pyrimidine?
The IUPAC name of 2-chloro-5-fluoro-4-(2,3,6-trimethylphenoxy)pyrimidine (CID 79081049) is 2-chloro-5-fluoro-4-(2,3,6-trimethylphenoxy)pyrimidine.
What is the SMILES notation for 2-chloro-5-fluoro-4-(2,3,6-trimethylphenoxy)pyrimidine?
The canonical SMILES for 2-chloro-5-fluoro-4-(2,3,6-trimethylphenoxy)pyrimidine is Cc1ccc(C)c(Oc2nc(Cl)ncc2F)c1C.
What is the InChIKey of 2-chloro-5-fluoro-4-(2,3,6-trimethylphenoxy)pyrimidine?
The InChIKey is HXAQHHGHHQRHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c1-7-4-5-8(2)11(9(7)3)18-12-10(15)6-16-13(14)17-12/h4-6H,1-3H3.
What are the key properties of 2-chloro-5-fluoro-4-(2,3,6-trimethylphenoxy)pyrimidine?
2-chloro-5-fluoro-4-(2,3,6-trimethylphenoxy)pyrimidine has a molecular weight of 266.70 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-(2,3,6-trimethylphenoxy)pyrimidine is sourced from PubChem (CID 79081049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).