2-[4-(hydroxymethyl)phenoxy]imidazo[1,2-a]pyridine-3-carboxylic acid

C15H12N2O4 — CID 61360290

IUPAC2-[4-(hydroxymethyl)phenoxy]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1c(Oc2ccc(CO)cc2)nc2ccccn12
InChIInChI=1S/C15H12N2O4/c18-9-10-4-6-11(7-5-10)21-14-13(15(19)20)17-8-2-1-3-12(17)16-14/h1-8,18H,9H2,(H,19,20)
InChIKeyIDWBWVOHJXGUDB-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.32
Rot. Bonds4

About 2-[4-(hydroxymethyl)phenoxy]imidazo[1,2-a]pyridine-3-carboxylic acid

2-[4-(hydroxymethyl)phenoxy]imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 61360290) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)phenoxy]imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)phenoxy]imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID61360290
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name2-[4-(hydroxymethyl)phenoxy]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1c(Oc2ccc(CO)cc2)nc2ccccn12
InChIInChI=1S/C15H12N2O4/c18-9-10-4-6-11(7-5-10)21-14-13(15(19)20)17-8-2-1-3-12(17)16-14/h1-8,18H,9H2,(H,19,20)
InChIKeyIDWBWVOHJXGUDB-UHFFFAOYSA-N
XLogP2.32
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)phenoxy]imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-[4-(hydroxymethyl)phenoxy]imidazo[1,2-a]pyridine-3-carboxylic acid (CID 61360290) is 2-[4-(hydroxymethyl)phenoxy]imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[4-(hydroxymethyl)phenoxy]imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[4-(hydroxymethyl)phenoxy]imidazo[1,2-a]pyridine-3-carboxylic acid is O=C(O)c1c(Oc2ccc(CO)cc2)nc2ccccn12.
What is the InChIKey of 2-[4-(hydroxymethyl)phenoxy]imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is IDWBWVOHJXGUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c18-9-10-4-6-11(7-5-10)21-14-13(15(19)20)17-8-2-1-3-12(17)16-14/h1-8,18H,9H2,(H,19,20).
What are the key properties of 2-[4-(hydroxymethyl)phenoxy]imidazo[1,2-a]pyridine-3-carboxylic acid?
2-[4-(hydroxymethyl)phenoxy]imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 284.27 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)phenoxy]imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 61360290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).