4-bromo-2-[(2,4-dichlorophenyl)methoxy]pyrimidine

C11H7BrCl2N2O — CID 166089342

IUPAC4-bromo-2-[(2,4-dichlorophenyl)methoxy]pyrimidine
SMILESClc1ccc(COc2nccc(Br)n2)c(Cl)c1
InChIInChI=1S/C11H7BrCl2N2O/c12-10-3-4-15-11(16-10)17-6-7-1-2-8(13)5-9(7)14/h1-5H,6H2
InChIKeyIRCFFOPUZBHWCK-UHFFFAOYSA-N
MW334.00 g/mol
LogP4.12
Rot. Bonds3

About 4-bromo-2-[(2,4-dichlorophenyl)methoxy]pyrimidine

4-bromo-2-[(2,4-dichlorophenyl)methoxy]pyrimidine (PubChem CID 166089342) has the molecular formula C11H7BrCl2N2O and a molecular weight of 334.00 g/mol. Its IUPAC name is 4-bromo-2-[(2,4-dichlorophenyl)methoxy]pyrimidine.

Molecular Properties

Compound Name4-bromo-2-[(2,4-dichlorophenyl)methoxy]pyrimidine
PubChem CID166089342
Molecular FormulaC11H7BrCl2N2O
Molecular Weight334.00 g/mol
Exact Mass331.91
IUPAC Name4-bromo-2-[(2,4-dichlorophenyl)methoxy]pyrimidine
SMILESClc1ccc(COc2nccc(Br)n2)c(Cl)c1
InChIInChI=1S/C11H7BrCl2N2O/c12-10-3-4-15-11(16-10)17-6-7-1-2-8(13)5-9(7)14/h1-5H,6H2
InChIKeyIRCFFOPUZBHWCK-UHFFFAOYSA-N
XLogP4.12
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.00
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-6-[(2,4-dichlorophenyl)methoxy]naphthalene
CID 60624704
1,3-dibromo-5-(bromomethyl)-2-[(2,4-dichlorophenyl)methoxy]benzene
CID 107745761
4-[2-(4-chlorophenyl)ethyl]-2-[(2,4-dichlorophenyl)methoxy]-5-fluoropyrimidine
CID 158763971
2-chloro-6-[(2,4-dichlorophenyl)methoxy]pyridine
CID 121012693
1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-2,4-dichlorobenzene
CID 28981500
2-[(2,4-dichlorophenyl)methoxy]furan
CID 170647412
4-[(2,4-dichlorophenyl)methoxy]aniline
CID 11579870
3-[(2,4-dichlorophenyl)methoxy]quinoline
CID 107388172
5-chloro-2-[(2,4-dichlorophenyl)methoxy]benzoic acid
CID 8707091
2,4-dichloro-1-[(2-fluorophenoxy)methyl]benzene
CID 60627817
1-[[4-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]imidazole
CID 21481677
3-[(4-chloro-2-fluorophenyl)methoxy]-2,4-diaza-1-azanidacyclopenta-2,4-diene;palladium
CID 164914506

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(2,4-dichlorophenyl)methoxy]pyrimidine?
The IUPAC name of 4-bromo-2-[(2,4-dichlorophenyl)methoxy]pyrimidine (CID 166089342) is 4-bromo-2-[(2,4-dichlorophenyl)methoxy]pyrimidine.
What is the SMILES notation for 4-bromo-2-[(2,4-dichlorophenyl)methoxy]pyrimidine?
The canonical SMILES for 4-bromo-2-[(2,4-dichlorophenyl)methoxy]pyrimidine is Clc1ccc(COc2nccc(Br)n2)c(Cl)c1.
What is the InChIKey of 4-bromo-2-[(2,4-dichlorophenyl)methoxy]pyrimidine?
The InChIKey is IRCFFOPUZBHWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrCl2N2O/c12-10-3-4-15-11(16-10)17-6-7-1-2-8(13)5-9(7)14/h1-5H,6H2.
What are the key properties of 4-bromo-2-[(2,4-dichlorophenyl)methoxy]pyrimidine?
4-bromo-2-[(2,4-dichlorophenyl)methoxy]pyrimidine has a molecular weight of 334.00 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(2,4-dichlorophenyl)methoxy]pyrimidine is sourced from PubChem (CID 166089342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).