4-(2-bromo-5-chlorophenyl)-6-methoxypyrimidine

C11H8BrClN2O — CID 118277786

IUPAC4-(2-bromo-5-chlorophenyl)-6-methoxypyrimidine
SMILESCOc1cc(-c2cc(Cl)ccc2Br)ncn1
InChIInChI=1S/C11H8BrClN2O/c1-16-11-5-10(14-6-15-11)8-4-7(13)2-3-9(8)12/h2-6H,1H3
InChIKeyXIWQOPPIDPRRGF-UHFFFAOYSA-N
MW299.56 g/mol
LogP3.57
Rot. Bonds2

About 4-(2-bromo-5-chlorophenyl)-6-methoxypyrimidine

4-(2-bromo-5-chlorophenyl)-6-methoxypyrimidine (PubChem CID 118277786) has the molecular formula C11H8BrClN2O and a molecular weight of 299.56 g/mol. Its IUPAC name is 4-(2-bromo-5-chlorophenyl)-6-methoxypyrimidine.

Molecular Properties

Compound Name4-(2-bromo-5-chlorophenyl)-6-methoxypyrimidine
PubChem CID118277786
Molecular FormulaC11H8BrClN2O
Molecular Weight299.56 g/mol
Exact Mass297.95
IUPAC Name4-(2-bromo-5-chlorophenyl)-6-methoxypyrimidine
SMILESCOc1cc(-c2cc(Cl)ccc2Br)ncn1
InChIInChI=1S/C11H8BrClN2O/c1-16-11-5-10(14-6-15-11)8-4-7(13)2-3-9(8)12/h2-6H,1H3
InChIKeyXIWQOPPIDPRRGF-UHFFFAOYSA-N
XLogP3.57
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.56
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,4-dichlorophenyl)-6-methoxypyrimidine
CID 50971015
4-[2-(4-bromotriazol-1-yl)-5-chlorophenyl]-6-methoxypyrimidine
CID 118277210
N-[4-chloro-2-(6-methoxypyrimidin-4-yl)phenyl]-2,2,2-trifluoroacetamide
CID 118277138
[1-[4-chloro-2-(6-methoxypyrimidin-4-yl)phenyl]triazol-4-yl]-dimethylsulfanium
CID 146838452
4-[5-chloro-2-[4-(difluoromethyl)triazol-1-yl]phenyl]-6-methoxypyrimidine
CID 118277361
2-(6-methoxypyrimidin-4-yl)phenol
CID 608793
5-chloro-2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 102949514
4-(2-bromo-5-chlorophenyl)-1H-pyrimidin-6-one;methane
CID 159568727
2-(2,5-dichlorophenyl)-6-methoxypyridine
CID 118807970
4-(5-chloro-2-fluorophenyl)-2,5-dimethoxypyridine
CID 118978136
4,6-dichloro-2-(6-methoxypyrimidin-4-yl)-5-propan-2-ylpyrimidine
CID 102949864
4-bromo-5-chloro-2-methoxypyridine
CID 70700260

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-5-chlorophenyl)-6-methoxypyrimidine?
The IUPAC name of 4-(2-bromo-5-chlorophenyl)-6-methoxypyrimidine (CID 118277786) is 4-(2-bromo-5-chlorophenyl)-6-methoxypyrimidine.
What is the SMILES notation for 4-(2-bromo-5-chlorophenyl)-6-methoxypyrimidine?
The canonical SMILES for 4-(2-bromo-5-chlorophenyl)-6-methoxypyrimidine is COc1cc(-c2cc(Cl)ccc2Br)ncn1.
What is the InChIKey of 4-(2-bromo-5-chlorophenyl)-6-methoxypyrimidine?
The InChIKey is XIWQOPPIDPRRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN2O/c1-16-11-5-10(14-6-15-11)8-4-7(13)2-3-9(8)12/h2-6H,1H3.
What are the key properties of 4-(2-bromo-5-chlorophenyl)-6-methoxypyrimidine?
4-(2-bromo-5-chlorophenyl)-6-methoxypyrimidine has a molecular weight of 299.56 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-5-chlorophenyl)-6-methoxypyrimidine is sourced from PubChem (CID 118277786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).