(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-fluorobenzoate

C15H10ClFN2O2 — CID 24686105

IUPAC(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-fluorobenzoate
SMILESO=C(OCc1cn2cc(Cl)ccc2n1)c1ccccc1F
InChIInChI=1S/C15H10ClFN2O2/c16-10-5-6-14-18-11(8-19(14)7-10)9-21-15(20)12-3-1-2-4-13(12)17/h1-8H,9H2
InChIKeyDIRSUGBYVDSUJU-UHFFFAOYSA-N
MW304.71 g/mol
LogP3.48
Rot. Bonds3

About (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-fluorobenzoate

(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-fluorobenzoate (PubChem CID 24686105) has the molecular formula C15H10ClFN2O2 and a molecular weight of 304.71 g/mol. Its IUPAC name is (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-fluorobenzoate.

Molecular Properties

Compound Name(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-fluorobenzoate
PubChem CID24686105
Molecular FormulaC15H10ClFN2O2
Molecular Weight304.71 g/mol
Exact Mass304.04
IUPAC Name(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-fluorobenzoate
SMILESO=C(OCc1cn2cc(Cl)ccc2n1)c1ccccc1F
InChIInChI=1S/C15H10ClFN2O2/c16-10-5-6-14-18-11(8-19(14)7-10)9-21-15(20)12-3-1-2-4-13(12)17/h1-8H,9H2
InChIKeyDIRSUGBYVDSUJU-UHFFFAOYSA-N
XLogP3.48
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.71
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-fluorobenzoate?
The IUPAC name of (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-fluorobenzoate (CID 24686105) is (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-fluorobenzoate.
What is the SMILES notation for (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-fluorobenzoate?
The canonical SMILES for (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-fluorobenzoate is O=C(OCc1cn2cc(Cl)ccc2n1)c1ccccc1F.
What is the InChIKey of (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-fluorobenzoate?
The InChIKey is DIRSUGBYVDSUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O2/c16-10-5-6-14-18-11(8-19(14)7-10)9-21-15(20)12-3-1-2-4-13(12)17/h1-8H,9H2.
What are the key properties of (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-fluorobenzoate?
(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-fluorobenzoate has a molecular weight of 304.71 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloroimidazo[1,2-a]pyridin-2-yl)methyl 2-fluorobenzoate is sourced from PubChem (CID 24686105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).