5-bromo-2-pyrimidin-4-yloxybenzoic acid

C11H7BrN2O3 — CID 107730200

IUPAC5-bromo-2-pyrimidin-4-yloxybenzoic acid
SMILESO=C(O)c1cc(Br)ccc1Oc1ccncn1
InChIInChI=1S/C11H7BrN2O3/c12-7-1-2-9(8(5-7)11(15)16)17-10-3-4-13-6-14-10/h1-6H,(H,15,16)
InChIKeyLWFSKWSFYBMIKF-UHFFFAOYSA-N
MW295.09 g/mol
LogP2.73
Rot. Bonds3

About 5-bromo-2-pyrimidin-4-yloxybenzoic acid

5-bromo-2-pyrimidin-4-yloxybenzoic acid (PubChem CID 107730200) has the molecular formula C11H7BrN2O3 and a molecular weight of 295.09 g/mol. Its IUPAC name is 5-bromo-2-pyrimidin-4-yloxybenzoic acid.

Molecular Properties

Compound Name5-bromo-2-pyrimidin-4-yloxybenzoic acid
PubChem CID107730200
Molecular FormulaC11H7BrN2O3
Molecular Weight295.09 g/mol
Exact Mass293.96
IUPAC Name5-bromo-2-pyrimidin-4-yloxybenzoic acid
SMILESO=C(O)c1cc(Br)ccc1Oc1ccncn1
InChIInChI=1S/C11H7BrN2O3/c12-7-1-2-9(8(5-7)11(15)16)17-10-3-4-13-6-14-10/h1-6H,(H,15,16)
InChIKeyLWFSKWSFYBMIKF-UHFFFAOYSA-N
XLogP2.73
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.09
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(4-bromo-2-carboxyphenoxy)benzoic acid
CID 54758731
5-bromo-2-(6-ethylpyrimidin-4-yl)oxybenzoic acid
CID 107730256
4-methoxy-2-pyrimidin-4-yloxybenzoic acid
CID 55134188
5-bromo-2-[(3-chloro-4-pyridinyl)oxy]benzoic acid
CID 113434920
2-[(5-bromo-2-pyridinyl)oxy]-5-iodobenzoic acid
CID 107732384
2-fluoro-4-pyrimidin-4-yloxybenzoic acid
CID 107677489
5-bromo-2-[(4-methyl-3-nitro-2-pyridinyl)oxy]benzoic acid
CID 104629704
5-bromo-2-[(3-bromo-5-methyl-2-pyridinyl)oxy]benzoic acid
CID 107730186
5-bromo-2-[(5-bromo-3-fluoro-2-pyridinyl)oxy]benzoic acid
CID 114046913
4-(5-bromo-2-fluorophenoxy)pyridine-3-carboxylic acid
CID 114672079
2-(5-bromopyrimidin-4-yl)oxy-5-iodobenzoic acid
CID 107732425
5-bromo-2-(2,5-dibromo-4-methoxyphenoxy)benzoic acid
CID 114896173

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-pyrimidin-4-yloxybenzoic acid?
The IUPAC name of 5-bromo-2-pyrimidin-4-yloxybenzoic acid (CID 107730200) is 5-bromo-2-pyrimidin-4-yloxybenzoic acid.
What is the SMILES notation for 5-bromo-2-pyrimidin-4-yloxybenzoic acid?
The canonical SMILES for 5-bromo-2-pyrimidin-4-yloxybenzoic acid is O=C(O)c1cc(Br)ccc1Oc1ccncn1.
What is the InChIKey of 5-bromo-2-pyrimidin-4-yloxybenzoic acid?
The InChIKey is LWFSKWSFYBMIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrN2O3/c12-7-1-2-9(8(5-7)11(15)16)17-10-3-4-13-6-14-10/h1-6H,(H,15,16).
What are the key properties of 5-bromo-2-pyrimidin-4-yloxybenzoic acid?
5-bromo-2-pyrimidin-4-yloxybenzoic acid has a molecular weight of 295.09 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-pyrimidin-4-yloxybenzoic acid is sourced from PubChem (CID 107730200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).