2-[(5-bromo-2-fluorophenoxy)methyl]-4-chloro-6-methylpyrimidine

C12H9BrClFN2O — CID 114672189

IUPAC2-[(5-bromo-2-fluorophenoxy)methyl]-4-chloro-6-methylpyrimidine
SMILESCc1cc(Cl)nc(COc2cc(Br)ccc2F)n1
InChIInChI=1S/C12H9BrClFN2O/c1-7-4-11(14)17-12(16-7)6-18-10-5-8(13)2-3-9(10)15/h2-5H,6H2,1H3
InChIKeyZQZGVJXNEBPAQF-UHFFFAOYSA-N
MW331.57 g/mol
LogP3.92
Rot. Bonds3

About 2-[(5-bromo-2-fluorophenoxy)methyl]-4-chloro-6-methylpyrimidine

2-[(5-bromo-2-fluorophenoxy)methyl]-4-chloro-6-methylpyrimidine (PubChem CID 114672189) has the molecular formula C12H9BrClFN2O and a molecular weight of 331.57 g/mol. Its IUPAC name is 2-[(5-bromo-2-fluorophenoxy)methyl]-4-chloro-6-methylpyrimidine.

Molecular Properties

Compound Name2-[(5-bromo-2-fluorophenoxy)methyl]-4-chloro-6-methylpyrimidine
PubChem CID114672189
Molecular FormulaC12H9BrClFN2O
Molecular Weight331.57 g/mol
Exact Mass329.96
IUPAC Name2-[(5-bromo-2-fluorophenoxy)methyl]-4-chloro-6-methylpyrimidine
SMILESCc1cc(Cl)nc(COc2cc(Br)ccc2F)n1
InChIInChI=1S/C12H9BrClFN2O/c1-7-4-11(14)17-12(16-7)6-18-10-5-8(13)2-3-9(10)15/h2-5H,6H2,1H3
InChIKeyZQZGVJXNEBPAQF-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromo-2-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 114676651
4-chloro-2-[(3-chloro-4-fluorophenoxy)methyl]-6-methylpyrimidine
CID 80664866
4-chloro-2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidine
CID 15561345
2-[(5-bromo-2-fluorophenoxy)methyl]-4,5-dimethyl-1,3-thiazole
CID 113353826
5-[(5-bromo-2-fluorophenoxy)methyl]-3-methyl-1,2-oxazole
CID 115918504
2-[(4-tert-butyl-2-methylphenoxy)methyl]-4-chloro-6-methylpyrimidine
CID 80656918
3-[(5-bromo-2-fluorophenoxy)methyl]-5-ethyl-1,2,4-oxadiazole
CID 115918530
2-[(2-bromo-6-methoxyphenoxy)methyl]-4-chloro-6-methylpyrimidine
CID 83140307
1-[(5-bromo-2-fluorophenoxy)methyl]-4-chloro-2-fluorobenzene
CID 114849366
4,6-dichloro-2-[(4-chloro-2-methylphenoxy)methyl]pyrimidine
CID 82169650
[2-[(4-bromo-2-chlorophenoxy)methyl]-6-methylpyrimidin-4-yl]hydrazine
CID 80656342
3-[(5-bromo-2-fluorophenyl)methoxy]-2-(chloromethyl)-6-methylpyridine
CID 79168706

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-fluorophenoxy)methyl]-4-chloro-6-methylpyrimidine?
The IUPAC name of 2-[(5-bromo-2-fluorophenoxy)methyl]-4-chloro-6-methylpyrimidine (CID 114672189) is 2-[(5-bromo-2-fluorophenoxy)methyl]-4-chloro-6-methylpyrimidine.
What is the SMILES notation for 2-[(5-bromo-2-fluorophenoxy)methyl]-4-chloro-6-methylpyrimidine?
The canonical SMILES for 2-[(5-bromo-2-fluorophenoxy)methyl]-4-chloro-6-methylpyrimidine is Cc1cc(Cl)nc(COc2cc(Br)ccc2F)n1.
What is the InChIKey of 2-[(5-bromo-2-fluorophenoxy)methyl]-4-chloro-6-methylpyrimidine?
The InChIKey is ZQZGVJXNEBPAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClFN2O/c1-7-4-11(14)17-12(16-7)6-18-10-5-8(13)2-3-9(10)15/h2-5H,6H2,1H3.
What are the key properties of 2-[(5-bromo-2-fluorophenoxy)methyl]-4-chloro-6-methylpyrimidine?
2-[(5-bromo-2-fluorophenoxy)methyl]-4-chloro-6-methylpyrimidine has a molecular weight of 331.57 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-fluorophenoxy)methyl]-4-chloro-6-methylpyrimidine is sourced from PubChem (CID 114672189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).