2-[(5-bromo-2-pyridinyl)oxy]-5-iodobenzoic acid

C12H7BrINO3 — CID 107732384

IUPAC2-[(5-bromo-2-pyridinyl)oxy]-5-iodobenzoic acid
SMILESO=C(O)c1cc(I)ccc1Oc1ccc(Br)cn1
InChIInChI=1S/C12H7BrINO3/c13-7-1-4-11(15-6-7)18-10-3-2-8(14)5-9(10)12(16)17/h1-6H,(H,16,17)
InChIKeyHBRZAEKNSBVLIM-UHFFFAOYSA-N
MW420.00 g/mol
LogP3.94
Rot. Bonds3

About 2-[(5-bromo-2-pyridinyl)oxy]-5-iodobenzoic acid

2-[(5-bromo-2-pyridinyl)oxy]-5-iodobenzoic acid (PubChem CID 107732384) has the molecular formula C12H7BrINO3 and a molecular weight of 420.00 g/mol. Its IUPAC name is 2-[(5-bromo-2-pyridinyl)oxy]-5-iodobenzoic acid.

Molecular Properties

Compound Name2-[(5-bromo-2-pyridinyl)oxy]-5-iodobenzoic acid
PubChem CID107732384
Molecular FormulaC12H7BrINO3
Molecular Weight420.00 g/mol
Exact Mass418.87
IUPAC Name2-[(5-bromo-2-pyridinyl)oxy]-5-iodobenzoic acid
SMILESO=C(O)c1cc(I)ccc1Oc1ccc(Br)cn1
InChIInChI=1S/C12H7BrINO3/c13-7-1-4-11(15-6-7)18-10-3-2-8(14)5-9(10)12(16)17/h1-6H,(H,16,17)
InChIKeyHBRZAEKNSBVLIM-UHFFFAOYSA-N
XLogP3.94
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.00
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[(5-bromo-2-pyridinyl)oxy]-4-methylbenzoic acid
CID 61395820
2-[(5-bromo-2-pyridinyl)oxy]-4-methoxybenzoic acid
CID 61395986
2-(5-bromopyrimidin-4-yl)oxy-5-iodobenzoic acid
CID 107732425
5-iodo-2-propoxybenzoic acid
CID 10804556
2-(4-bromo-2-cyanophenoxy)-5-iodobenzoic acid
CID 107732348
5-bromo-2-pyrimidin-4-yloxybenzoic acid
CID 107730200
5-iodo-2-pentoxybenzoic acid
CID 82996012
5-bromo-2-(4-bromo-2-carboxyphenoxy)benzoic acid
CID 54758731
2-[(5-bromo-2-pyridinyl)oxy]-3-methoxybenzoic acid
CID 61395806
2-(4-fluorophenoxy)-5-iodobenzoic acid
CID 70332778
4-bromo-2-(5-iodopyrimidin-2-yl)oxybenzoic acid
CID 116649333
5-iodo-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)oxy]benzoic acid
CID 107732466

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-pyridinyl)oxy]-5-iodobenzoic acid?
The IUPAC name of 2-[(5-bromo-2-pyridinyl)oxy]-5-iodobenzoic acid (CID 107732384) is 2-[(5-bromo-2-pyridinyl)oxy]-5-iodobenzoic acid.
What is the SMILES notation for 2-[(5-bromo-2-pyridinyl)oxy]-5-iodobenzoic acid?
The canonical SMILES for 2-[(5-bromo-2-pyridinyl)oxy]-5-iodobenzoic acid is O=C(O)c1cc(I)ccc1Oc1ccc(Br)cn1.
What is the InChIKey of 2-[(5-bromo-2-pyridinyl)oxy]-5-iodobenzoic acid?
The InChIKey is HBRZAEKNSBVLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrINO3/c13-7-1-4-11(15-6-7)18-10-3-2-8(14)5-9(10)12(16)17/h1-6H,(H,16,17).
What are the key properties of 2-[(5-bromo-2-pyridinyl)oxy]-5-iodobenzoic acid?
2-[(5-bromo-2-pyridinyl)oxy]-5-iodobenzoic acid has a molecular weight of 420.00 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-pyridinyl)oxy]-5-iodobenzoic acid is sourced from PubChem (CID 107732384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).