2-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid

C13H14N2O3 — CID 117154857

IUPAC2-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
SMILESO=C(O)C1CCCc2nc(Cc3ccco3)cn21
InChIInChI=1S/C13H14N2O3/c16-13(17)11-4-1-5-12-14-9(8-15(11)12)7-10-3-2-6-18-10/h2-3,6,8,11H,1,4-5,7H2,(H,16,17)
InChIKeyKWLMSQQOACYQOJ-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.03
Rot. Bonds3

About 2-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid

2-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid (PubChem CID 117154857) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
PubChem CID117154857
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name2-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
SMILESO=C(O)C1CCCc2nc(Cc3ccco3)cn21
InChIInChI=1S/C13H14N2O3/c16-13(17)11-4-1-5-12-14-9(8-15(11)12)7-10-3-2-6-18-10/h2-3,6,8,11H,1,4-5,7H2,(H,16,17)
InChIKeyKWLMSQQOACYQOJ-UHFFFAOYSA-N
XLogP2.03
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-yl]methanol
CID 117155144
2-(2,2-dimethylpropyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
CID 117154843
2-(thiolan-3-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
CID 117154692
1-(furan-2-ylmethyl)-6-oxopiperidine-2-carboxylic acid
CID 117003684
2-(2-chlorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
CID 117128276
[2-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanol
CID 117153712
(2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 51440981
2-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
CID 115003566
2-(4-aminophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
CID 117128228
2-(thiolan-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
CID 117154665
1-[1-(furan-2-yl)propan-2-yl]azepane-2-carboxylic acid
CID 65069664
2-(1,1-dioxothian-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid
CID 117154718

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid?
The IUPAC name of 2-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid (CID 117154857) is 2-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid?
The canonical SMILES for 2-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid is O=C(O)C1CCCc2nc(Cc3ccco3)cn21.
What is the InChIKey of 2-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid?
The InChIKey is KWLMSQQOACYQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c16-13(17)11-4-1-5-12-14-9(8-15(11)12)7-10-3-2-6-18-10/h2-3,6,8,11H,1,4-5,7H2,(H,16,17).
What are the key properties of 2-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid?
2-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 117154857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).