methyl 2-(3-aminophenyl)imidazo[1,2-a]pyridine-6-carboxylate

C15H13N3O2 — CID 3845864

IUPACmethyl 2-(3-aminophenyl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3cccc(N)c3)cn2c1
InChIInChI=1S/C15H13N3O2/c1-20-15(19)11-5-6-14-17-13(9-18(14)8-11)10-3-2-4-12(16)7-10/h2-9H,16H2,1H3
InChIKeyNPXMRZXPVGXVFP-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.37
Rot. Bonds2

About methyl 2-(3-aminophenyl)imidazo[1,2-a]pyridine-6-carboxylate

methyl 2-(3-aminophenyl)imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 3845864) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is methyl 2-(3-aminophenyl)imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-aminophenyl)imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID3845864
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Namemethyl 2-(3-aminophenyl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3cccc(N)c3)cn2c1
InChIInChI=1S/C15H13N3O2/c1-20-15(19)11-5-6-14-17-13(9-18(14)8-11)10-3-2-4-12(16)7-10/h2-9H,16H2,1H3
InChIKeyNPXMRZXPVGXVFP-UHFFFAOYSA-N
XLogP2.37
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-aminophenyl)imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 2-(3-aminophenyl)imidazo[1,2-a]pyridine-6-carboxylate (CID 3845864) is methyl 2-(3-aminophenyl)imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-(3-aminophenyl)imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-(3-aminophenyl)imidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(-c3cccc(N)c3)cn2c1.
What is the InChIKey of methyl 2-(3-aminophenyl)imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is NPXMRZXPVGXVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-20-15(19)11-5-6-14-17-13(9-18(14)8-11)10-3-2-4-12(16)7-10/h2-9H,16H2,1H3.
What are the key properties of methyl 2-(3-aminophenyl)imidazo[1,2-a]pyridine-6-carboxylate?
methyl 2-(3-aminophenyl)imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 267.29 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-aminophenyl)imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 3845864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).