2-[5-chloro-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]ethanamine

C15H13ClFN3 — CID 82342859

IUPAC2-[5-chloro-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]ethanamine
SMILESNCCc1nc2cccc(Cl)n2c1-c1ccc(F)cc1
InChIInChI=1S/C15H13ClFN3/c16-13-2-1-3-14-19-12(8-9-18)15(20(13)14)10-4-6-11(17)7-5-10/h1-7H,8-9,18H2
InChIKeyAUWIAFDGRLOTSQ-UHFFFAOYSA-N
MW289.74 g/mol
LogP3.30
Rot. Bonds3

About 2-[5-chloro-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]ethanamine

2-[5-chloro-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]ethanamine (PubChem CID 82342859) has the molecular formula C15H13ClFN3 and a molecular weight of 289.74 g/mol. Its IUPAC name is 2-[5-chloro-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-chloro-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]ethanamine
PubChem CID82342859
Molecular FormulaC15H13ClFN3
Molecular Weight289.74 g/mol
Exact Mass289.08
IUPAC Name2-[5-chloro-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]ethanamine
SMILESNCCc1nc2cccc(Cl)n2c1-c1ccc(F)cc1
InChIInChI=1S/C15H13ClFN3/c16-13-2-1-3-14-19-12(8-9-18)15(20(13)14)10-4-6-11(17)7-5-10/h1-7H,8-9,18H2
InChIKeyAUWIAFDGRLOTSQ-UHFFFAOYSA-N
XLogP3.30
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]ethanamine?
The IUPAC name of 2-[5-chloro-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]ethanamine (CID 82342859) is 2-[5-chloro-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]ethanamine.
What is the SMILES notation for 2-[5-chloro-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]ethanamine?
The canonical SMILES for 2-[5-chloro-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]ethanamine is NCCc1nc2cccc(Cl)n2c1-c1ccc(F)cc1.
What is the InChIKey of 2-[5-chloro-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]ethanamine?
The InChIKey is AUWIAFDGRLOTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3/c16-13-2-1-3-14-19-12(8-9-18)15(20(13)14)10-4-6-11(17)7-5-10/h1-7H,8-9,18H2.
What are the key properties of 2-[5-chloro-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]ethanamine?
2-[5-chloro-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]ethanamine has a molecular weight of 289.74 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-3-(4-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]ethanamine is sourced from PubChem (CID 82342859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).