2-imidazo[1,2-a]pyridin-5-yloxy-5-iodobenzoic acid

C14H9IN2O3 — CID 107732540

IUPAC2-imidazo[1,2-a]pyridin-5-yloxy-5-iodobenzoic acid
SMILESO=C(O)c1cc(I)ccc1Oc1cccc2nccn12
InChIInChI=1S/C14H9IN2O3/c15-9-4-5-11(10(8-9)14(18)19)20-13-3-1-2-12-16-6-7-17(12)13/h1-8H,(H,18,19)
InChIKeyXNMCNZYOQZEVKZ-UHFFFAOYSA-N
MW380.14 g/mol
LogP3.43
Rot. Bonds3

About 2-imidazo[1,2-a]pyridin-5-yloxy-5-iodobenzoic acid

2-imidazo[1,2-a]pyridin-5-yloxy-5-iodobenzoic acid (PubChem CID 107732540) has the molecular formula C14H9IN2O3 and a molecular weight of 380.14 g/mol. Its IUPAC name is 2-imidazo[1,2-a]pyridin-5-yloxy-5-iodobenzoic acid.

Molecular Properties

Compound Name2-imidazo[1,2-a]pyridin-5-yloxy-5-iodobenzoic acid
PubChem CID107732540
Molecular FormulaC14H9IN2O3
Molecular Weight380.14 g/mol
Exact Mass379.97
IUPAC Name2-imidazo[1,2-a]pyridin-5-yloxy-5-iodobenzoic acid
SMILESO=C(O)c1cc(I)ccc1Oc1cccc2nccn12
InChIInChI=1S/C14H9IN2O3/c15-9-4-5-11(10(8-9)14(18)19)20-13-3-1-2-12-16-6-7-17(12)13/h1-8H,(H,18,19)
InChIKeyXNMCNZYOQZEVKZ-UHFFFAOYSA-N
XLogP3.43
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.14
LogP ≤ 53.43
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

(4-imidazo[1,2-a]pyridin-5-yloxy-3-methoxyphenyl)methanol
CID 107743857
2-[(5-bromo-2-pyridinyl)oxy]-5-iodobenzoic acid
CID 107732384
5-iodo-2-[(3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)oxy]benzoic acid
CID 107732399
5-iodo-2-propoxybenzoic acid
CID 10804556
5-(6-bromonaphthalen-2-yl)oxyimidazo[1,2-a]pyridine
CID 102625258
2-(5-bromopyrimidin-4-yl)oxy-5-iodobenzoic acid
CID 107732425
2-(4-fluorophenoxy)-5-iodobenzoic acid
CID 70332778
5-iodo-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)oxy]benzoic acid
CID 107732466
imidazo[1,2-a]quinoline-9-carboxylic acid
CID 115027788
5-iodo-2-pentoxybenzoic acid
CID 82996012
2-imidazo[1,2-a]pyridin-5-yl-5-methylbenzoic acid
CID 102626289
2-(1,3-benzoxazol-2-yloxy)-5-iodobenzoic acid
CID 107732420

Frequently Asked Questions

What is the IUPAC name of 2-imidazo[1,2-a]pyridin-5-yloxy-5-iodobenzoic acid?
The IUPAC name of 2-imidazo[1,2-a]pyridin-5-yloxy-5-iodobenzoic acid (CID 107732540) is 2-imidazo[1,2-a]pyridin-5-yloxy-5-iodobenzoic acid.
What is the SMILES notation for 2-imidazo[1,2-a]pyridin-5-yloxy-5-iodobenzoic acid?
The canonical SMILES for 2-imidazo[1,2-a]pyridin-5-yloxy-5-iodobenzoic acid is O=C(O)c1cc(I)ccc1Oc1cccc2nccn12.
What is the InChIKey of 2-imidazo[1,2-a]pyridin-5-yloxy-5-iodobenzoic acid?
The InChIKey is XNMCNZYOQZEVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9IN2O3/c15-9-4-5-11(10(8-9)14(18)19)20-13-3-1-2-12-16-6-7-17(12)13/h1-8H,(H,18,19).
What are the key properties of 2-imidazo[1,2-a]pyridin-5-yloxy-5-iodobenzoic acid?
2-imidazo[1,2-a]pyridin-5-yloxy-5-iodobenzoic acid has a molecular weight of 380.14 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[1,2-a]pyridin-5-yloxy-5-iodobenzoic acid is sourced from PubChem (CID 107732540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).