imidazo[1,2-a]pyridin-2-ylmethyl 2-amino-5-fluorobenzoate

C15H12FN3O2 — CID 60656851

IUPACimidazo[1,2-a]pyridin-2-ylmethyl 2-amino-5-fluorobenzoate
SMILESNc1ccc(F)cc1C(=O)OCc1cn2ccccc2n1
InChIInChI=1S/C15H12FN3O2/c16-10-4-5-13(17)12(7-10)15(20)21-9-11-8-19-6-2-1-3-14(19)18-11/h1-8H,9,17H2
InChIKeyWFMWQMMKKFDSGW-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.41
Rot. Bonds3

About imidazo[1,2-a]pyridin-2-ylmethyl 2-amino-5-fluorobenzoate

imidazo[1,2-a]pyridin-2-ylmethyl 2-amino-5-fluorobenzoate (PubChem CID 60656851) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is imidazo[1,2-a]pyridin-2-ylmethyl 2-amino-5-fluorobenzoate.

Molecular Properties

Compound Nameimidazo[1,2-a]pyridin-2-ylmethyl 2-amino-5-fluorobenzoate
PubChem CID60656851
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Nameimidazo[1,2-a]pyridin-2-ylmethyl 2-amino-5-fluorobenzoate
SMILESNc1ccc(F)cc1C(=O)OCc1cn2ccccc2n1
InChIInChI=1S/C15H12FN3O2/c16-10-4-5-13(17)12(7-10)15(20)21-9-11-8-19-6-2-1-3-14(19)18-11/h1-8H,9,17H2
InChIKeyWFMWQMMKKFDSGW-UHFFFAOYSA-N
XLogP2.41
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

imidazo[1,2-a]pyridin-2-ylmethyl 2-amino-4-chlorobenzoate
CID 60656920
imidazo[1,2-a]pyridin-2-ylmethyl 4-aminobenzoate
CID 60655585
imidazo[1,2-a]pyridin-2-ylmethyl 1-amino-9,10-dioxoanthracene-2-carboxylate
CID 55372410
imidazo[1,2-a]pyridin-2-ylmethyl quinoxaline-2-carboxylate
CID 71944439
imidazo[1,2-a]pyridin-2-ylmethyl 3-fluoro-4-methoxybenzoate
CID 7523277
imidazo[1,2-a]pyridin-2-ylmethyl 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate
CID 7173026
(6-methoxy-2-pyridinyl)methyl 2-amino-5-fluorobenzoate
CID 63985128
imidazo[1,2-a]pyridin-2-ylmethyl 2-piperidin-1-ylsulfonylbenzoate
CID 7626180
imidazo[1,2-a]pyridin-2-ylmethyl 4-(methylsulfonylmethyl)benzoate
CID 7625039
imidazo[1,2-a]pyridin-2-ylmethyl 2-(2-hydroxyethylamino)-5-nitrobenzoate
CID 7983275
imidazo[1,2-a]pyridin-2-ylmethyl 2-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate
CID 75500455
(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-fluorobenzoate
CID 24686105

Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyridin-2-ylmethyl 2-amino-5-fluorobenzoate?
The IUPAC name of imidazo[1,2-a]pyridin-2-ylmethyl 2-amino-5-fluorobenzoate (CID 60656851) is imidazo[1,2-a]pyridin-2-ylmethyl 2-amino-5-fluorobenzoate.
What is the SMILES notation for imidazo[1,2-a]pyridin-2-ylmethyl 2-amino-5-fluorobenzoate?
The canonical SMILES for imidazo[1,2-a]pyridin-2-ylmethyl 2-amino-5-fluorobenzoate is Nc1ccc(F)cc1C(=O)OCc1cn2ccccc2n1.
What is the InChIKey of imidazo[1,2-a]pyridin-2-ylmethyl 2-amino-5-fluorobenzoate?
The InChIKey is WFMWQMMKKFDSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c16-10-4-5-13(17)12(7-10)15(20)21-9-11-8-19-6-2-1-3-14(19)18-11/h1-8H,9,17H2.
What are the key properties of imidazo[1,2-a]pyridin-2-ylmethyl 2-amino-5-fluorobenzoate?
imidazo[1,2-a]pyridin-2-ylmethyl 2-amino-5-fluorobenzoate has a molecular weight of 285.28 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyridin-2-ylmethyl 2-amino-5-fluorobenzoate is sourced from PubChem (CID 60656851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).