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

C11H7BrClFN2O — CID 172624640

IUPAC2-(4-bromo-2-chloro-6-fluorophenoxy)-4-methylpyrimidine
SMILESCc1ccnc(Oc2c(F)cc(Br)cc2Cl)n1
InChIInChI=1S/C11H7BrClFN2O/c1-6-2-3-15-11(16-6)17-10-8(13)4-7(12)5-9(10)14/h2-5H,1H3
InChIKeyUEGWRBGPZAKZAA-UHFFFAOYSA-N
MW317.55 g/mol
LogP4.13
Rot. Bonds2

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

2-(4-bromo-2-chloro-6-fluorophenoxy)-4-methylpyrimidine (PubChem CID 172624640) has the molecular formula C11H7BrClFN2O and a molecular weight of 317.55 g/mol. Its IUPAC name is 2-(4-bromo-2-chloro-6-fluorophenoxy)-4-methylpyrimidine.

Molecular Properties

Compound Name2-(4-bromo-2-chloro-6-fluorophenoxy)-4-methylpyrimidine
PubChem CID172624640
Molecular FormulaC11H7BrClFN2O
Molecular Weight317.55 g/mol
Exact Mass315.94
IUPAC Name2-(4-bromo-2-chloro-6-fluorophenoxy)-4-methylpyrimidine
SMILESCc1ccnc(Oc2c(F)cc(Br)cc2Cl)n1
InChIInChI=1S/C11H7BrClFN2O/c1-6-2-3-15-11(16-6)17-10-8(13)4-7(12)5-9(10)14/h2-5H,1H3
InChIKeyUEGWRBGPZAKZAA-UHFFFAOYSA-N
XLogP4.13
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.55
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chloro-6-fluorophenoxy)-4-methylpyrimidine?
The IUPAC name of 2-(4-bromo-2-chloro-6-fluorophenoxy)-4-methylpyrimidine (CID 172624640) is 2-(4-bromo-2-chloro-6-fluorophenoxy)-4-methylpyrimidine.
What is the SMILES notation for 2-(4-bromo-2-chloro-6-fluorophenoxy)-4-methylpyrimidine?
The canonical SMILES for 2-(4-bromo-2-chloro-6-fluorophenoxy)-4-methylpyrimidine is Cc1ccnc(Oc2c(F)cc(Br)cc2Cl)n1.
What is the InChIKey of 2-(4-bromo-2-chloro-6-fluorophenoxy)-4-methylpyrimidine?
The InChIKey is UEGWRBGPZAKZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClFN2O/c1-6-2-3-15-11(16-6)17-10-8(13)4-7(12)5-9(10)14/h2-5H,1H3.
What are the key properties of 2-(4-bromo-2-chloro-6-fluorophenoxy)-4-methylpyrimidine?
2-(4-bromo-2-chloro-6-fluorophenoxy)-4-methylpyrimidine has a molecular weight of 317.55 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chloro-6-fluorophenoxy)-4-methylpyrimidine is sourced from PubChem (CID 172624640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).