2-bromo-4-(3,5-dichloro-2-methoxyphenyl)pyrimidine

C11H7BrCl2N2O — CID 116904284

IUPAC2-bromo-4-(3,5-dichloro-2-methoxyphenyl)pyrimidine
SMILESCOc1c(Cl)cc(Cl)cc1-c1ccnc(Br)n1
InChIInChI=1S/C11H7BrCl2N2O/c1-17-10-7(4-6(13)5-8(10)14)9-2-3-15-11(12)16-9/h2-5H,1H3
InChIKeyXLHQGAHLEXAAOY-UHFFFAOYSA-N
MW334.00 g/mol
LogP4.22
Rot. Bonds2

About 2-bromo-4-(3,5-dichloro-2-methoxyphenyl)pyrimidine

2-bromo-4-(3,5-dichloro-2-methoxyphenyl)pyrimidine (PubChem CID 116904284) has the molecular formula C11H7BrCl2N2O and a molecular weight of 334.00 g/mol. Its IUPAC name is 2-bromo-4-(3,5-dichloro-2-methoxyphenyl)pyrimidine.

Molecular Properties

Compound Name2-bromo-4-(3,5-dichloro-2-methoxyphenyl)pyrimidine
PubChem CID116904284
Molecular FormulaC11H7BrCl2N2O
Molecular Weight334.00 g/mol
Exact Mass331.91
IUPAC Name2-bromo-4-(3,5-dichloro-2-methoxyphenyl)pyrimidine
SMILESCOc1c(Cl)cc(Cl)cc1-c1ccnc(Br)n1
InChIInChI=1S/C11H7BrCl2N2O/c1-17-10-7(4-6(13)5-8(10)14)9-2-3-15-11(12)16-9/h2-5H,1H3
InChIKeyXLHQGAHLEXAAOY-UHFFFAOYSA-N
XLogP4.22
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.00
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-bromo-4-(3,5-dichloro-2-methoxyphenyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-4-(5-ethyl-2-methoxyphenyl)pyrimidine
CID 116904266
5-(3,5-dichloro-2-methoxyphenyl)-1,2,4-triazin-3-amine
CID 96667856
4-(3,5-dichloro-2-methoxyphenyl)imidazole-1,2-diamine
CID 95475434
5-bromo-4-(3,5-dichloro-2-methoxyphenyl)-2-methyl-1H-imidazole
CID 84610428
2-fluoro-3-methoxy-4-(2,3,5-trichlorophenyl)pyridine
CID 134637483
2-bromo-4-(2,4-dimethylphenyl)pyrimidine
CID 116904235
2,3,4-tribromo-5-(3,5-dichloro-2-methoxyphenyl)-1H-pyrrole
CID 14431154
4-(5-chloro-2-methoxyphenyl)-2-methoxypyrimidine
CID 116903740
4-(2-methoxy-3,5-dimethylphenyl)-2-methylpyrimidine
CID 116903911
2-bromo-4-naphthalen-1-ylpyrimidine
CID 91926173
4-(2,4-dichlorophenyl)pyrimidin-2-amine
CID 4773592
[3-[4-(3,5-dichloro-2-methoxyphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983767

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(3,5-dichloro-2-methoxyphenyl)pyrimidine?
The IUPAC name of 2-bromo-4-(3,5-dichloro-2-methoxyphenyl)pyrimidine (CID 116904284) is 2-bromo-4-(3,5-dichloro-2-methoxyphenyl)pyrimidine.
What is the SMILES notation for 2-bromo-4-(3,5-dichloro-2-methoxyphenyl)pyrimidine?
The canonical SMILES for 2-bromo-4-(3,5-dichloro-2-methoxyphenyl)pyrimidine is COc1c(Cl)cc(Cl)cc1-c1ccnc(Br)n1.
What is the InChIKey of 2-bromo-4-(3,5-dichloro-2-methoxyphenyl)pyrimidine?
The InChIKey is XLHQGAHLEXAAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrCl2N2O/c1-17-10-7(4-6(13)5-8(10)14)9-2-3-15-11(12)16-9/h2-5H,1H3.
What are the key properties of 2-bromo-4-(3,5-dichloro-2-methoxyphenyl)pyrimidine?
2-bromo-4-(3,5-dichloro-2-methoxyphenyl)pyrimidine has a molecular weight of 334.00 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(3,5-dichloro-2-methoxyphenyl)pyrimidine is sourced from PubChem (CID 116904284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).