5-chloro-2-(5-iodopyrimidin-2-yl)oxybenzoic acid

C11H6ClIN2O3 — CID 116649327

IUPAC5-chloro-2-(5-iodopyrimidin-2-yl)oxybenzoic acid
SMILESO=C(O)c1cc(Cl)ccc1Oc1ncc(I)cn1
InChIInChI=1S/C11H6ClIN2O3/c12-6-1-2-9(8(3-6)10(16)17)18-11-14-4-7(13)5-15-11/h1-5H,(H,16,17)
InChIKeyANUDABLDAYBELD-UHFFFAOYSA-N
MW376.54 g/mol
LogP3.23
Rot. Bonds3

About 5-chloro-2-(5-iodopyrimidin-2-yl)oxybenzoic acid

5-chloro-2-(5-iodopyrimidin-2-yl)oxybenzoic acid (PubChem CID 116649327) has the molecular formula C11H6ClIN2O3 and a molecular weight of 376.54 g/mol. Its IUPAC name is 5-chloro-2-(5-iodopyrimidin-2-yl)oxybenzoic acid.

Molecular Properties

Compound Name5-chloro-2-(5-iodopyrimidin-2-yl)oxybenzoic acid
PubChem CID116649327
Molecular FormulaC11H6ClIN2O3
Molecular Weight376.54 g/mol
Exact Mass375.91
IUPAC Name5-chloro-2-(5-iodopyrimidin-2-yl)oxybenzoic acid
SMILESO=C(O)c1cc(Cl)ccc1Oc1ncc(I)cn1
InChIInChI=1S/C11H6ClIN2O3/c12-6-1-2-9(8(3-6)10(16)17)18-11-14-4-7(13)5-15-11/h1-5H,(H,16,17)
InChIKeyANUDABLDAYBELD-UHFFFAOYSA-N
XLogP3.23
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.54
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-Chloro-2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]benzoic acid
CID 15611937
5-Chloro-2-hydroxyphenyl pyrimidin-5-yl ketone
CID 39733845
5-Fluoro-2-(pyrimidin-5-yloxy)benzoic acid
CID 132212829
5-((5-Bromopyrimidin-2-yl)oxy)-2-chlorobenzoic acid
CID 113842442
2-(Pyrimidin-2-yloxy)benzoic acid
CID 21972447
Pyrimidinyl salicylate
CID 22227307
Methyl 2-(5-bromopyrimidin-2-yloxy)benzoate
CID 53403233
3,3,3-Trifluoropropyl 2-chloro-6-(5-chloropyrimidin-2-yl)oxybenzoate
CID 124110724
3,3,3-Trifluoropropyl 2-(5-chloropyrimidin-2-yl)oxy-5-methylbenzoate
CID 124117804
3,3,3-Trifluoropropyl 2-(5-chloropyrimidin-2-yl)oxy-5-(trifluoromethyl)benzoate
CID 124117807
3-Fluoro-2-pyrimidin-5-yloxybenzoic acid
CID 166131266
2-Chloro-6-(5-chloropyrimidin-2-yl)oxy-3-(2,3,3-trifluoropropyl)benzoic acid
CID 175401796

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(5-iodopyrimidin-2-yl)oxybenzoic acid?
The IUPAC name of 5-chloro-2-(5-iodopyrimidin-2-yl)oxybenzoic acid (CID 116649327) is 5-chloro-2-(5-iodopyrimidin-2-yl)oxybenzoic acid.
What is the SMILES notation for 5-chloro-2-(5-iodopyrimidin-2-yl)oxybenzoic acid?
The canonical SMILES for 5-chloro-2-(5-iodopyrimidin-2-yl)oxybenzoic acid is O=C(O)c1cc(Cl)ccc1Oc1ncc(I)cn1.
What is the InChIKey of 5-chloro-2-(5-iodopyrimidin-2-yl)oxybenzoic acid?
The InChIKey is ANUDABLDAYBELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClIN2O3/c12-6-1-2-9(8(3-6)10(16)17)18-11-14-4-7(13)5-15-11/h1-5H,(H,16,17).
What are the key properties of 5-chloro-2-(5-iodopyrimidin-2-yl)oxybenzoic acid?
5-chloro-2-(5-iodopyrimidin-2-yl)oxybenzoic acid has a molecular weight of 376.54 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(5-iodopyrimidin-2-yl)oxybenzoic acid is sourced from PubChem (CID 116649327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).