2-(4-bromophenoxy)-6-methylpyrimidine-4-carboxylic acid

C12H9BrN2O3 — CID 107554676

IUPAC2-(4-bromophenoxy)-6-methylpyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(Oc2ccc(Br)cc2)n1
InChIInChI=1S/C12H9BrN2O3/c1-7-6-10(11(16)17)15-12(14-7)18-9-4-2-8(13)3-5-9/h2-6H,1H3,(H,16,17)
InChIKeyUMHZUYJDZLDTPY-UHFFFAOYSA-N
MW309.12 g/mol
LogP3.04
Rot. Bonds3

About 2-(4-bromophenoxy)-6-methylpyrimidine-4-carboxylic acid

2-(4-bromophenoxy)-6-methylpyrimidine-4-carboxylic acid (PubChem CID 107554676) has the molecular formula C12H9BrN2O3 and a molecular weight of 309.12 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-6-methylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-bromophenoxy)-6-methylpyrimidine-4-carboxylic acid
PubChem CID107554676
Molecular FormulaC12H9BrN2O3
Molecular Weight309.12 g/mol
Exact Mass307.98
IUPAC Name2-(4-bromophenoxy)-6-methylpyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(Oc2ccc(Br)cc2)n1
InChIInChI=1S/C12H9BrN2O3/c1-7-6-10(11(16)17)15-12(14-7)18-9-4-2-8(13)3-5-9/h2-6H,1H3,(H,16,17)
InChIKeyUMHZUYJDZLDTPY-UHFFFAOYSA-N
XLogP3.04
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.12
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-3-methylphenoxy)-6-methylpyrimidine-4-carboxylic acid
CID 107555013
2-(2,4-dibromophenoxy)-6-methylpyrimidine-4-carboxylic acid
CID 107554951
2-[(5-bromo-3-pyridinyl)oxy]-6-methylpyrimidine-4-carboxylic acid
CID 107554945
2-[4-(2-hydroxyethyl)phenoxy]-6-methylpyrimidine-4-carboxylic acid
CID 107710034
2-(3-bromo-5-fluorophenoxy)-6-methylpyrimidine-4-carboxylic acid
CID 107554983
2-(4-bromophenyl)-6-methylpyrimidine-4-carboxylic acid
CID 62745549
6-methyl-2-(3-methyl-4-propan-2-ylphenoxy)pyrimidine-4-carboxylic acid
CID 107554670
[2-(4-bromophenoxy)-6-methylpyrimidin-4-yl]methanol
CID 114219948
6-methyl-2-(3-nitrophenoxy)pyrimidine-4-carboxylic acid
CID 107554866
2-(4-chloro-2,6-dimethylphenoxy)-6-methylpyrimidine-4-carboxylic acid
CID 107554750
6-methyl-2-propan-2-yloxypyrimidine-4-carboxylic acid
CID 55269383
methyl N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]carbamate
CID 108742490

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-6-methylpyrimidine-4-carboxylic acid?
The IUPAC name of 2-(4-bromophenoxy)-6-methylpyrimidine-4-carboxylic acid (CID 107554676) is 2-(4-bromophenoxy)-6-methylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(4-bromophenoxy)-6-methylpyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(4-bromophenoxy)-6-methylpyrimidine-4-carboxylic acid is Cc1cc(C(=O)O)nc(Oc2ccc(Br)cc2)n1.
What is the InChIKey of 2-(4-bromophenoxy)-6-methylpyrimidine-4-carboxylic acid?
The InChIKey is UMHZUYJDZLDTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2O3/c1-7-6-10(11(16)17)15-12(14-7)18-9-4-2-8(13)3-5-9/h2-6H,1H3,(H,16,17).
What are the key properties of 2-(4-bromophenoxy)-6-methylpyrimidine-4-carboxylic acid?
2-(4-bromophenoxy)-6-methylpyrimidine-4-carboxylic acid has a molecular weight of 309.12 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-6-methylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 107554676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).