2-[(3-hydroxyphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid

C15H12N2O4 — CID 117256445

IUPAC2-[(3-hydroxyphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccn2cc(COc3cccc(O)c3)nc2c1
InChIInChI=1S/C15H12N2O4/c18-12-2-1-3-13(7-12)21-9-11-8-17-5-4-10(15(19)20)6-14(17)16-11/h1-8,18H,9H2,(H,19,20)
InChIKeyRTGMYIZYWFSCPS-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.32
Rot. Bonds4

About 2-[(3-hydroxyphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid

2-[(3-hydroxyphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid (PubChem CID 117256445) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is 2-[(3-hydroxyphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-[(3-hydroxyphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid
PubChem CID117256445
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name2-[(3-hydroxyphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccn2cc(COc3cccc(O)c3)nc2c1
InChIInChI=1S/C15H12N2O4/c18-12-2-1-3-13(7-12)21-9-11-8-17-5-4-10(15(19)20)6-14(17)16-11/h1-8,18H,9H2,(H,19,20)
InChIKeyRTGMYIZYWFSCPS-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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Related Compounds

methyl 2-[(3-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylate
CID 117256448
methyl 2-[(3-methylphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylate
CID 117256440
4-[(3-hydroxyphenoxy)methyl]-1-methylimidazole-2-carboxylic acid
CID 117191697
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate
CID 7063876
3-[(8-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]benzoic acid
CID 82529675
ethyl 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate
CID 112788039
2-(phenoxymethyl)imidazo[1,2-a]pyridine
CID 4702052
2-(4-ethoxyphenyl)imidazo[1,2-a]pyridine-7-carboxylic acid
CID 9146654
imidazo[1,2-a]pyridine-2,7-dicarboxylic acid
CID 19701499
tert-butyl 2-[[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]-methylamino]acetate
CID 52842387
4-[(7-aminoimidazo[1,2-a]pyridin-2-yl)methoxy]phenol
CID 117256386
3-[[1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]methoxy]phenol
CID 166366746

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxyphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid?
The IUPAC name of 2-[(3-hydroxyphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid (CID 117256445) is 2-[(3-hydroxyphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-[(3-hydroxyphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid?
The canonical SMILES for 2-[(3-hydroxyphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid is O=C(O)c1ccn2cc(COc3cccc(O)c3)nc2c1.
What is the InChIKey of 2-[(3-hydroxyphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid?
The InChIKey is RTGMYIZYWFSCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c18-12-2-1-3-13(7-12)21-9-11-8-17-5-4-10(15(19)20)6-14(17)16-11/h1-8,18H,9H2,(H,19,20).
What are the key properties of 2-[(3-hydroxyphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid?
2-[(3-hydroxyphenoxy)methyl]imidazo[1,2-a]pyridine-7-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-[(3-hydroxyphenoxy)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 117256445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).