imidazo[1,2-a]pyridin-2-ylmethyl 2-amino-4-chlorobenzoate

C15H12ClN3O2 — CID 60656920

IUPACimidazo[1,2-a]pyridin-2-ylmethyl 2-amino-4-chlorobenzoate
SMILESNc1cc(Cl)ccc1C(=O)OCc1cn2ccccc2n1
InChIInChI=1S/C15H12ClN3O2/c16-10-4-5-12(13(17)7-10)15(20)21-9-11-8-19-6-2-1-3-14(19)18-11/h1-8H,9,17H2
InChIKeyXDJSDZKJFLPGDB-UHFFFAOYSA-N
MW301.73 g/mol
LogP2.93
Rot. Bonds3

About imidazo[1,2-a]pyridin-2-ylmethyl 2-amino-4-chlorobenzoate

imidazo[1,2-a]pyridin-2-ylmethyl 2-amino-4-chlorobenzoate (PubChem CID 60656920) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is imidazo[1,2-a]pyridin-2-ylmethyl 2-amino-4-chlorobenzoate.

Molecular Properties

Compound Nameimidazo[1,2-a]pyridin-2-ylmethyl 2-amino-4-chlorobenzoate
PubChem CID60656920
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Nameimidazo[1,2-a]pyridin-2-ylmethyl 2-amino-4-chlorobenzoate
SMILESNc1cc(Cl)ccc1C(=O)OCc1cn2ccccc2n1
InChIInChI=1S/C15H12ClN3O2/c16-10-4-5-12(13(17)7-10)15(20)21-9-11-8-19-6-2-1-3-14(19)18-11/h1-8H,9,17H2
InChIKeyXDJSDZKJFLPGDB-UHFFFAOYSA-N
XLogP2.93
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 52.93
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-5-fluorobenzoate
CID 60656851
5-chloro-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 17469223
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
(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-fluorobenzoate
CID 24686105
(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-oxo-6-phenyl-1H-pyridine-3-carboxylate
CID 75416787
5-chloro-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfonyl)aniline
CID 81175196
imidazo[1,2-a]pyridin-2-ylmethyl 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate
CID 7173026
imidazo[1,2-a]pyridin-2-ylmethyl quinoxaline-2-carboxylate
CID 71944439
imidazo[1,2-a]pyridin-2-ylmethyl 2-piperidin-1-ylsulfonylbenzoate
CID 7626180
imidazo[1,2-a]pyridin-2-ylmethyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 8759120
imidazo[1,2-a]pyridin-2-ylmethyl 3-fluoro-4-methoxybenzoate
CID 7523277

Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyridin-2-ylmethyl 2-amino-4-chlorobenzoate?
The IUPAC name of imidazo[1,2-a]pyridin-2-ylmethyl 2-amino-4-chlorobenzoate (CID 60656920) is imidazo[1,2-a]pyridin-2-ylmethyl 2-amino-4-chlorobenzoate.
What is the SMILES notation for imidazo[1,2-a]pyridin-2-ylmethyl 2-amino-4-chlorobenzoate?
The canonical SMILES for imidazo[1,2-a]pyridin-2-ylmethyl 2-amino-4-chlorobenzoate is Nc1cc(Cl)ccc1C(=O)OCc1cn2ccccc2n1.
What is the InChIKey of imidazo[1,2-a]pyridin-2-ylmethyl 2-amino-4-chlorobenzoate?
The InChIKey is XDJSDZKJFLPGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c16-10-4-5-12(13(17)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-4-chlorobenzoate?
imidazo[1,2-a]pyridin-2-ylmethyl 2-amino-4-chlorobenzoate has a molecular weight of 301.73 g/mol, XLogP of 2.93, 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-4-chlorobenzoate is sourced from PubChem (CID 60656920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).