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

C11H7BrClFN2O — CID 47091822

IUPAC4-(2-bromo-4-fluorophenoxy)-6-chloro-2-methylpyrimidine
SMILESCc1nc(Cl)cc(Oc2ccc(F)cc2Br)n1
InChIInChI=1S/C11H7BrClFN2O/c1-6-15-10(13)5-11(16-6)17-9-3-2-7(14)4-8(9)12/h2-5H,1H3
InChIKeyVIDVVIWJFAOISO-UHFFFAOYSA-N
MW317.55 g/mol
LogP4.13
Rot. Bonds2

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

4-(2-bromo-4-fluorophenoxy)-6-chloro-2-methylpyrimidine (PubChem CID 47091822) has the molecular formula C11H7BrClFN2O and a molecular weight of 317.55 g/mol. Its IUPAC name is 4-(2-bromo-4-fluorophenoxy)-6-chloro-2-methylpyrimidine.

Molecular Properties

Compound Name4-(2-bromo-4-fluorophenoxy)-6-chloro-2-methylpyrimidine
PubChem CID47091822
Molecular FormulaC11H7BrClFN2O
Molecular Weight317.55 g/mol
Exact Mass315.94
IUPAC Name4-(2-bromo-4-fluorophenoxy)-6-chloro-2-methylpyrimidine
SMILESCc1nc(Cl)cc(Oc2ccc(F)cc2Br)n1
InChIInChI=1S/C11H7BrClFN2O/c1-6-15-10(13)5-11(16-6)17-9-3-2-7(14)4-8(9)12/h2-5H,1H3
InChIKeyVIDVVIWJFAOISO-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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Related Compounds

4-Chloro-6-(2-fluorophenoxy)pyrimidin-2-amine
CID 683987
4-Chloro-6-phenoxypyrimidine
CID 11593677
4-Chloro-6-phenoxypyrimidin-2-amine
CID 753797
4-Chloro-6-(4-fluorophenoxy)pyrimidine
CID 3469285
4-Chloro-6-(4-iodophenoxy)pyrimidin-2-amine
CID 618737
4-Chloro-6-(2-fluorophenoxy)pyrimidine
CID 24716039
4-Chloro-6-(4-fluorophenoxy)pyrimidin-2-amine
CID 4554770
4-(3-Fluorophenoxy)-6-chloropyrimidine
CID 24715760
4-Chloro-2-methyl-6-[2-(2,2,2-trifluoroethoxy)phenoxy]pyrimidine
CID 52882426
2-Amino-6-(4-chlorophenoxy)-4-fluoropyrimidine
CID 14717232
4-Chloro-2-methyl-6-[4-(trifluoromethyl)phenoxy]pyrimidine
CID 52352289
4-(2-Bromo-4-fluorophenoxy)-2-methylpyrimidine
CID 62785834

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-fluorophenoxy)-6-chloro-2-methylpyrimidine?
The IUPAC name of 4-(2-bromo-4-fluorophenoxy)-6-chloro-2-methylpyrimidine (CID 47091822) is 4-(2-bromo-4-fluorophenoxy)-6-chloro-2-methylpyrimidine.
What is the SMILES notation for 4-(2-bromo-4-fluorophenoxy)-6-chloro-2-methylpyrimidine?
The canonical SMILES for 4-(2-bromo-4-fluorophenoxy)-6-chloro-2-methylpyrimidine is Cc1nc(Cl)cc(Oc2ccc(F)cc2Br)n1.
What is the InChIKey of 4-(2-bromo-4-fluorophenoxy)-6-chloro-2-methylpyrimidine?
The InChIKey is VIDVVIWJFAOISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClFN2O/c1-6-15-10(13)5-11(16-6)17-9-3-2-7(14)4-8(9)12/h2-5H,1H3.
What are the key properties of 4-(2-bromo-4-fluorophenoxy)-6-chloro-2-methylpyrimidine?
4-(2-bromo-4-fluorophenoxy)-6-chloro-2-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 4-(2-bromo-4-fluorophenoxy)-6-chloro-2-methylpyrimidine is sourced from PubChem (CID 47091822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).