2-[3-(2-methyl-2-nitropropyl)imidazo[1,2-a]pyridin-8-yl]oxyacetic acid

C13H15N3O5 — CID 22038573

IUPAC2-[3-(2-methyl-2-nitropropyl)imidazo[1,2-a]pyridin-8-yl]oxyacetic acid
SMILESCC(C)(Cc1cnc2c(OCC(=O)O)cccn12)[N+](=O)[O-]
InChIInChI=1S/C13H15N3O5/c1-13(2,16(19)20)6-9-7-14-12-10(21-8-11(17)18)4-3-5-15(9)12/h3-5,7H,6,8H2,1-2H3,(H,17,18)
InChIKeyUCJARDRCTNAMFJ-UHFFFAOYSA-N
MW293.28 g/mol
LogP1.40
Rot. Bonds6

About 2-[3-(2-methyl-2-nitropropyl)imidazo[1,2-a]pyridin-8-yl]oxyacetic acid

2-[3-(2-methyl-2-nitropropyl)imidazo[1,2-a]pyridin-8-yl]oxyacetic acid (PubChem CID 22038573) has the molecular formula C13H15N3O5 and a molecular weight of 293.28 g/mol. Its IUPAC name is 2-[3-(2-methyl-2-nitropropyl)imidazo[1,2-a]pyridin-8-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-(2-methyl-2-nitropropyl)imidazo[1,2-a]pyridin-8-yl]oxyacetic acid
PubChem CID22038573
Molecular FormulaC13H15N3O5
Molecular Weight293.28 g/mol
Exact Mass293.10
IUPAC Name2-[3-(2-methyl-2-nitropropyl)imidazo[1,2-a]pyridin-8-yl]oxyacetic acid
SMILESCC(C)(Cc1cnc2c(OCC(=O)O)cccn12)[N+](=O)[O-]
InChIInChI=1S/C13H15N3O5/c1-13(2,16(19)20)6-9-7-14-12-10(21-8-11(17)18)4-3-5-15(9)12/h3-5,7H,6,8H2,1-2H3,(H,17,18)
InChIKeyUCJARDRCTNAMFJ-UHFFFAOYSA-N
XLogP1.40
TPSA106.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methyl-2-nitropropyl)imidazo[1,2-a]pyridin-8-yl]oxyacetic acid?
The IUPAC name of 2-[3-(2-methyl-2-nitropropyl)imidazo[1,2-a]pyridin-8-yl]oxyacetic acid (CID 22038573) is 2-[3-(2-methyl-2-nitropropyl)imidazo[1,2-a]pyridin-8-yl]oxyacetic acid.
What is the SMILES notation for 2-[3-(2-methyl-2-nitropropyl)imidazo[1,2-a]pyridin-8-yl]oxyacetic acid?
The canonical SMILES for 2-[3-(2-methyl-2-nitropropyl)imidazo[1,2-a]pyridin-8-yl]oxyacetic acid is CC(C)(Cc1cnc2c(OCC(=O)O)cccn12)[N+](=O)[O-].
What is the InChIKey of 2-[3-(2-methyl-2-nitropropyl)imidazo[1,2-a]pyridin-8-yl]oxyacetic acid?
The InChIKey is UCJARDRCTNAMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O5/c1-13(2,16(19)20)6-9-7-14-12-10(21-8-11(17)18)4-3-5-15(9)12/h3-5,7H,6,8H2,1-2H3,(H,17,18).
What are the key properties of 2-[3-(2-methyl-2-nitropropyl)imidazo[1,2-a]pyridin-8-yl]oxyacetic acid?
2-[3-(2-methyl-2-nitropropyl)imidazo[1,2-a]pyridin-8-yl]oxyacetic acid has a molecular weight of 293.28 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methyl-2-nitropropyl)imidazo[1,2-a]pyridin-8-yl]oxyacetic acid is sourced from PubChem (CID 22038573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).