2-[(5-bromo-3-pyridinyl)oxy]-6-methylpyrimidine-4-carboxylic acid

C11H8BrN3O3 — CID 107554945

IUPAC2-[(5-bromo-3-pyridinyl)oxy]-6-methylpyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(Oc2cncc(Br)c2)n1
InChIInChI=1S/C11H8BrN3O3/c1-6-2-9(10(16)17)15-11(14-6)18-8-3-7(12)4-13-5-8/h2-5H,1H3,(H,16,17)
InChIKeyBVFJQHYOGNKQND-UHFFFAOYSA-N
MW310.11 g/mol
LogP2.43
Rot. Bonds3

About 2-[(5-bromo-3-pyridinyl)oxy]-6-methylpyrimidine-4-carboxylic acid

2-[(5-bromo-3-pyridinyl)oxy]-6-methylpyrimidine-4-carboxylic acid (PubChem CID 107554945) has the molecular formula C11H8BrN3O3 and a molecular weight of 310.11 g/mol. Its IUPAC name is 2-[(5-bromo-3-pyridinyl)oxy]-6-methylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(5-bromo-3-pyridinyl)oxy]-6-methylpyrimidine-4-carboxylic acid
PubChem CID107554945
Molecular FormulaC11H8BrN3O3
Molecular Weight310.11 g/mol
Exact Mass308.97
IUPAC Name2-[(5-bromo-3-pyridinyl)oxy]-6-methylpyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(Oc2cncc(Br)c2)n1
InChIInChI=1S/C11H8BrN3O3/c1-6-2-9(10(16)17)15-11(14-6)18-8-3-7(12)4-13-5-8/h2-5H,1H3,(H,16,17)
InChIKeyBVFJQHYOGNKQND-UHFFFAOYSA-N
XLogP2.43
TPSA85.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.11
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromophenoxy)-6-methylpyrimidine-4-carboxylic acid
CID 107554676
2-(3-bromo-5-fluorophenoxy)-6-methylpyrimidine-4-carboxylic acid
CID 107554983
2-(4-bromo-3-methylphenoxy)-6-methylpyrimidine-4-carboxylic acid
CID 107555013
2-(2,4-dibromophenoxy)-6-methylpyrimidine-4-carboxylic acid
CID 107554951
3-bromo-5-[(5-bromo-3-pyridinyl)oxy]benzoic acid
CID 102823683
2-[4-(2-hydroxyethyl)phenoxy]-6-methylpyrimidine-4-carboxylic acid
CID 107710034
6-methyl-2-(3-methyl-4-propan-2-ylphenoxy)pyrimidine-4-carboxylic acid
CID 107554670
6-methyl-2-(3-methylbutan-2-yloxy)pyrimidine-4-carboxylic acid
CID 107554981
2-(4-chloro-2,6-dimethylphenoxy)-6-methylpyrimidine-4-carboxylic acid
CID 107554750
6-methyl-2-propan-2-yloxypyrimidine-4-carboxylic acid
CID 55269383
6-methyl-2-(3-nitrophenoxy)pyrimidine-4-carboxylic acid
CID 107554866
5-[(2,6-dimethyl-4-pyridinyl)oxy]pyridine-3-carboxylic acid
CID 114272248

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-pyridinyl)oxy]-6-methylpyrimidine-4-carboxylic acid?
The IUPAC name of 2-[(5-bromo-3-pyridinyl)oxy]-6-methylpyrimidine-4-carboxylic acid (CID 107554945) is 2-[(5-bromo-3-pyridinyl)oxy]-6-methylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-[(5-bromo-3-pyridinyl)oxy]-6-methylpyrimidine-4-carboxylic acid?
The canonical SMILES for 2-[(5-bromo-3-pyridinyl)oxy]-6-methylpyrimidine-4-carboxylic acid is Cc1cc(C(=O)O)nc(Oc2cncc(Br)c2)n1.
What is the InChIKey of 2-[(5-bromo-3-pyridinyl)oxy]-6-methylpyrimidine-4-carboxylic acid?
The InChIKey is BVFJQHYOGNKQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3O3/c1-6-2-9(10(16)17)15-11(14-6)18-8-3-7(12)4-13-5-8/h2-5H,1H3,(H,16,17).
What are the key properties of 2-[(5-bromo-3-pyridinyl)oxy]-6-methylpyrimidine-4-carboxylic acid?
2-[(5-bromo-3-pyridinyl)oxy]-6-methylpyrimidine-4-carboxylic acid has a molecular weight of 310.11 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-pyridinyl)oxy]-6-methylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 107554945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).