[(1S)-1-(2-chlorophenyl)ethyl] imidazo[1,2-a]pyridine-2-carboxylate

C16H13ClN2O2 — CID 7247094

IUPAC[(1S)-1-(2-chlorophenyl)ethyl] imidazo[1,2-a]pyridine-2-carboxylate
SMILESC[C@H](OC(=O)c1cn2ccccc2n1)c1ccccc1Cl
InChIInChI=1S/C16H13ClN2O2/c1-11(12-6-2-3-7-13(12)17)21-16(20)14-10-19-9-5-4-8-15(19)18-14/h2-11H,1H3/t11-/m0/s1
InChIKeyOLNPYXRJPFNWAN-NSHDSACASA-N
MW300.75 g/mol
LogP3.91
Rot. Bonds3

About [(1S)-1-(2-chlorophenyl)ethyl] imidazo[1,2-a]pyridine-2-carboxylate

[(1S)-1-(2-chlorophenyl)ethyl] imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 7247094) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is [(1S)-1-(2-chlorophenyl)ethyl] imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Name[(1S)-1-(2-chlorophenyl)ethyl] imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID7247094
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name[(1S)-1-(2-chlorophenyl)ethyl] imidazo[1,2-a]pyridine-2-carboxylate
SMILESC[C@H](OC(=O)c1cn2ccccc2n1)c1ccccc1Cl
InChIInChI=1S/C16H13ClN2O2/c1-11(12-6-2-3-7-13(12)17)21-16(20)14-10-19-9-5-4-8-15(19)18-14/h2-11H,1H3/t11-/m0/s1
InChIKeyOLNPYXRJPFNWAN-NSHDSACASA-N
XLogP3.91
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7246853
[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7226287
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7226254
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7246945
[(1S)-1-(2-chlorophenyl)ethyl] quinoline-2-carboxylate
CID 2555320
[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7246982
imidazo[1,2-a]pyridine-2-carbonyl chloride
CID 87400951
1-imidazo[1,2-a]pyridin-2-ylethanone
CID 11194486
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7246989
[(2S)-1-(cyclohexylmethylamino)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7226279
cyclopropyl imidazo[1,2-a]pyridine-2-carboxylate
CID 165133317
butyl imidazo[1,2-a]pyridine-2-carboxylate
CID 112724658

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(2-chlorophenyl)ethyl] imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of [(1S)-1-(2-chlorophenyl)ethyl] imidazo[1,2-a]pyridine-2-carboxylate (CID 7247094) is [(1S)-1-(2-chlorophenyl)ethyl] imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for [(1S)-1-(2-chlorophenyl)ethyl] imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for [(1S)-1-(2-chlorophenyl)ethyl] imidazo[1,2-a]pyridine-2-carboxylate is C[C@H](OC(=O)c1cn2ccccc2n1)c1ccccc1Cl.
What is the InChIKey of [(1S)-1-(2-chlorophenyl)ethyl] imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is OLNPYXRJPFNWAN-NSHDSACASA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-11(12-6-2-3-7-13(12)17)21-16(20)14-10-19-9-5-4-8-15(19)18-14/h2-11H,1H3/t11-/m0/s1.
What are the key properties of [(1S)-1-(2-chlorophenyl)ethyl] imidazo[1,2-a]pyridine-2-carboxylate?
[(1S)-1-(2-chlorophenyl)ethyl] imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 300.75 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(2-chlorophenyl)ethyl] imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 7247094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).