4-(7-oxo-1H-imidazo[1,2-a]pyridin-2-yl)benzoic acid

C14H10N2O3 — CID 117128128

IUPAC4-(7-oxo-1H-imidazo[1,2-a]pyridin-2-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2cn3ccc(=O)cc3[nH]2)cc1
InChIInChI=1S/C14H10N2O3/c17-11-5-6-16-8-12(15-13(16)7-11)9-1-3-10(4-2-9)14(18)19/h1-8,15H,(H,18,19)
InChIKeyVOARPJTXSZZYFX-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.99
Rot. Bonds2

About 4-(7-oxo-1H-imidazo[1,2-a]pyridin-2-yl)benzoic acid

4-(7-oxo-1H-imidazo[1,2-a]pyridin-2-yl)benzoic acid (PubChem CID 117128128) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 4-(7-oxo-1H-imidazo[1,2-a]pyridin-2-yl)benzoic acid.

Molecular Properties

Compound Name4-(7-oxo-1H-imidazo[1,2-a]pyridin-2-yl)benzoic acid
PubChem CID117128128
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name4-(7-oxo-1H-imidazo[1,2-a]pyridin-2-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2cn3ccc(=O)cc3[nH]2)cc1
InChIInChI=1S/C14H10N2O3/c17-11-5-6-16-8-12(15-13(16)7-11)9-1-3-10(4-2-9)14(18)19/h1-8,15H,(H,18,19)
InChIKeyVOARPJTXSZZYFX-UHFFFAOYSA-N
XLogP1.99
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-1H-imidazo[1,2-a]pyridin-7-one
CID 117135490
4-(4-oxo-1H-pyridin-2-yl)benzoic acid
CID 53229319
4-[5-(4-tert-butylphenyl)-1H-pyrrol-2-yl]benzoic acid
CID 170555585
bismuthane;terephthalic acid
CID 173299583
4-(3-phenyl-2-sulfanylidene-1H-imidazol-5-yl)benzoic acid
CID 24964314
terephthalic acid azide
CID 159297891
4-(1-oxo-2H-isoquinolin-3-yl)benzoic acid
CID 82667154
oxophosphane;terephthalic acid
CID 175391404
silver;terephthalic acid;zinc
CID 88512761
4-(2-amino-1H-imidazol-5-yl)benzoic acid;hydrochloride
CID 69483664
terephthalic acid
CID 160582437
7-oxo-1H-imidazo[1,2-a]pyridine-3-carboxylic acid
CID 67976217

Frequently Asked Questions

What is the IUPAC name of 4-(7-oxo-1H-imidazo[1,2-a]pyridin-2-yl)benzoic acid?
The IUPAC name of 4-(7-oxo-1H-imidazo[1,2-a]pyridin-2-yl)benzoic acid (CID 117128128) is 4-(7-oxo-1H-imidazo[1,2-a]pyridin-2-yl)benzoic acid.
What is the SMILES notation for 4-(7-oxo-1H-imidazo[1,2-a]pyridin-2-yl)benzoic acid?
The canonical SMILES for 4-(7-oxo-1H-imidazo[1,2-a]pyridin-2-yl)benzoic acid is O=C(O)c1ccc(-c2cn3ccc(=O)cc3[nH]2)cc1.
What is the InChIKey of 4-(7-oxo-1H-imidazo[1,2-a]pyridin-2-yl)benzoic acid?
The InChIKey is VOARPJTXSZZYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c17-11-5-6-16-8-12(15-13(16)7-11)9-1-3-10(4-2-9)14(18)19/h1-8,15H,(H,18,19).
What are the key properties of 4-(7-oxo-1H-imidazo[1,2-a]pyridin-2-yl)benzoic acid?
4-(7-oxo-1H-imidazo[1,2-a]pyridin-2-yl)benzoic acid has a molecular weight of 254.25 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-oxo-1H-imidazo[1,2-a]pyridin-2-yl)benzoic acid is sourced from PubChem (CID 117128128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).