2-(2,4-dibromophenoxy)-6-methylpyrimidine-4-carboxylic acid

C12H8Br2N2O3 — CID 107554951

IUPAC2-(2,4-dibromophenoxy)-6-methylpyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(Oc2ccc(Br)cc2Br)n1
InChIInChI=1S/C12H8Br2N2O3/c1-6-4-9(11(17)18)16-12(15-6)19-10-3-2-7(13)5-8(10)14/h2-5H,1H3,(H,17,18)
InChIKeyFURRPZQMOVMYMX-UHFFFAOYSA-N
MW388.02 g/mol
LogP3.80
Rot. Bonds3

About 2-(2,4-dibromophenoxy)-6-methylpyrimidine-4-carboxylic acid

2-(2,4-dibromophenoxy)-6-methylpyrimidine-4-carboxylic acid (PubChem CID 107554951) has the molecular formula C12H8Br2N2O3 and a molecular weight of 388.02 g/mol. Its IUPAC name is 2-(2,4-dibromophenoxy)-6-methylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,4-dibromophenoxy)-6-methylpyrimidine-4-carboxylic acid
PubChem CID107554951
Molecular FormulaC12H8Br2N2O3
Molecular Weight388.02 g/mol
Exact Mass385.89
IUPAC Name2-(2,4-dibromophenoxy)-6-methylpyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(Oc2ccc(Br)cc2Br)n1
InChIInChI=1S/C12H8Br2N2O3/c1-6-4-9(11(17)18)16-12(15-6)19-10-3-2-7(13)5-8(10)14/h2-5H,1H3,(H,17,18)
InChIKeyFURRPZQMOVMYMX-UHFFFAOYSA-N
XLogP3.80
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.02
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,4-dibromophenoxy)-6-methylpyrimidine-4-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenoxy)-6-methylpyrimidine-4-carboxylic acid?
The IUPAC name of 2-(2,4-dibromophenoxy)-6-methylpyrimidine-4-carboxylic acid (CID 107554951) is 2-(2,4-dibromophenoxy)-6-methylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(2,4-dibromophenoxy)-6-methylpyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(2,4-dibromophenoxy)-6-methylpyrimidine-4-carboxylic acid is Cc1cc(C(=O)O)nc(Oc2ccc(Br)cc2Br)n1.
What is the InChIKey of 2-(2,4-dibromophenoxy)-6-methylpyrimidine-4-carboxylic acid?
The InChIKey is FURRPZQMOVMYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2N2O3/c1-6-4-9(11(17)18)16-12(15-6)19-10-3-2-7(13)5-8(10)14/h2-5H,1H3,(H,17,18).
What are the key properties of 2-(2,4-dibromophenoxy)-6-methylpyrimidine-4-carboxylic acid?
2-(2,4-dibromophenoxy)-6-methylpyrimidine-4-carboxylic acid has a molecular weight of 388.02 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromophenoxy)-6-methylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 107554951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).