4-(3-bromo-5-fluorophenoxy)-6-chloro-2-ethylpyrimidine

C12H9BrClFN2O — CID 81332258

IUPAC4-(3-bromo-5-fluorophenoxy)-6-chloro-2-ethylpyrimidine
SMILESCCc1nc(Cl)cc(Oc2cc(F)cc(Br)c2)n1
InChIInChI=1S/C12H9BrClFN2O/c1-2-11-16-10(14)6-12(17-11)18-9-4-7(13)3-8(15)5-9/h3-6H,2H2,1H3
InChIKeyLFCWHXNFYVXQHA-UHFFFAOYSA-N
MW331.57 g/mol
LogP4.39
Rot. Bonds3

About 4-(3-bromo-5-fluorophenoxy)-6-chloro-2-ethylpyrimidine

4-(3-bromo-5-fluorophenoxy)-6-chloro-2-ethylpyrimidine (PubChem CID 81332258) has the molecular formula C12H9BrClFN2O and a molecular weight of 331.57 g/mol. Its IUPAC name is 4-(3-bromo-5-fluorophenoxy)-6-chloro-2-ethylpyrimidine.

Molecular Properties

Compound Name4-(3-bromo-5-fluorophenoxy)-6-chloro-2-ethylpyrimidine
PubChem CID81332258
Molecular FormulaC12H9BrClFN2O
Molecular Weight331.57 g/mol
Exact Mass329.96
IUPAC Name4-(3-bromo-5-fluorophenoxy)-6-chloro-2-ethylpyrimidine
SMILESCCc1nc(Cl)cc(Oc2cc(F)cc(Br)c2)n1
InChIInChI=1S/C12H9BrClFN2O/c1-2-11-16-10(14)6-12(17-11)18-9-4-7(13)3-8(15)5-9/h3-6H,2H2,1H3
InChIKeyLFCWHXNFYVXQHA-UHFFFAOYSA-N
XLogP4.39
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.57
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(3,5-difluorophenoxy)-2-propylpyrimidine
CID 80939932
4-chloro-2-ethyl-6-(3-fluoro-4-methylphenoxy)pyrimidine
CID 107169176
4-(5-bromo-2-chlorophenoxy)-6-chloro-2-ethylpyrimidine
CID 80943851
4-chloro-6-(3,4-dimethylphenoxy)-2-ethylpyrimidine
CID 80943114
N-[[6-(3-bromo-5-fluorophenoxy)-3-chloro-2-pyridinyl]methyl]ethanamine
CID 81325689
4-(6-chloro-2-ethylpyrimidin-4-yl)oxy-2-fluorobenzonitrile
CID 80944458
4-(3-bromo-5-fluorophenoxy)-6-methylpyrimidin-2-amine
CID 81326185
3-(6-chloro-2-ethylpyrimidin-4-yl)oxy-N,N-dimethylaniline
CID 80944453
2-(3-bromo-5-fluorophenoxy)-4,6-dichloro-1,3,5-triazine
CID 81332174
4-(3-bromo-5-fluorophenoxy)-6-chloro-5-methyl-2-propylpyrimidine
CID 81332421
6-(3-bromo-5-fluorophenoxy)-2-methylsulfanylpyrimidin-4-amine
CID 81325950
4-chloro-2-ethyl-6-(3-propan-2-ylphenoxy)pyrimidine
CID 80943842

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-5-fluorophenoxy)-6-chloro-2-ethylpyrimidine?
The IUPAC name of 4-(3-bromo-5-fluorophenoxy)-6-chloro-2-ethylpyrimidine (CID 81332258) is 4-(3-bromo-5-fluorophenoxy)-6-chloro-2-ethylpyrimidine.
What is the SMILES notation for 4-(3-bromo-5-fluorophenoxy)-6-chloro-2-ethylpyrimidine?
The canonical SMILES for 4-(3-bromo-5-fluorophenoxy)-6-chloro-2-ethylpyrimidine is CCc1nc(Cl)cc(Oc2cc(F)cc(Br)c2)n1.
What is the InChIKey of 4-(3-bromo-5-fluorophenoxy)-6-chloro-2-ethylpyrimidine?
The InChIKey is LFCWHXNFYVXQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClFN2O/c1-2-11-16-10(14)6-12(17-11)18-9-4-7(13)3-8(15)5-9/h3-6H,2H2,1H3.
What are the key properties of 4-(3-bromo-5-fluorophenoxy)-6-chloro-2-ethylpyrimidine?
4-(3-bromo-5-fluorophenoxy)-6-chloro-2-ethylpyrimidine has a molecular weight of 331.57 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-5-fluorophenoxy)-6-chloro-2-ethylpyrimidine is sourced from PubChem (CID 81332258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).