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

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Related Compounds

2-(4-bromophenoxy)-6-methylpyrimidine-4-carboxylic acid
CID 107554676
2-(4-bromo-3-methylphenoxy)-6-methylpyrimidine-4-carboxylic acid
CID 107555013
2-[(5-bromo-3-pyridinyl)oxy]-6-methylpyrimidine-4-carboxylic acid
CID 107554945
2-(3-bromo-5-fluorophenoxy)-6-methylpyrimidine-4-carboxylic acid
CID 107554983
2-(4-bromophenyl)-6-methylpyrimidine-4-carboxylic acid
CID 62745549
2-(4-chloro-2-nitrophenoxy)-6-methylpyrimidine-4-carboxylic acid
CID 107554753
6-methyl-2-[2-[(E)-prop-1-enyl]phenoxy]pyrimidine-4-carboxylic acid
CID 107554634
2-(4-chloro-2,6-dimethylphenoxy)-6-methylpyrimidine-4-carboxylic acid
CID 107554750
6-methyl-2-propan-2-yloxypyrimidine-4-carboxylic acid
CID 55269383
5-(2,4-dibromophenoxy)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 64718870
2-[4-(2-hydroxyethyl)phenoxy]-6-methylpyrimidine-4-carboxylic acid
CID 107710034
2-chloro-4-(2,4-dibromophenoxy)-6-methoxy-1,3,5-triazine
CID 64718654

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).