2-fluoroethyl 2-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylate

C15H11F2N3O2 — CID 25184009

IUPAC2-fluoroethyl 2-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESO=C(OCCF)c1ccc2nc(-c3ccc(F)nc3)cn2c1
InChIInChI=1S/C15H11F2N3O2/c16-5-6-22-15(21)11-2-4-14-19-12(9-20(14)8-11)10-1-3-13(17)18-7-10/h1-4,7-9H,5-6H2
InChIKeyRTMNEBMUQREWMJ-UHFFFAOYSA-N
MW303.27 g/mol
LogP2.66
Rot. Bonds4

About 2-fluoroethyl 2-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylate

2-fluoroethyl 2-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 25184009) has the molecular formula C15H11F2N3O2 and a molecular weight of 303.27 g/mol. Its IUPAC name is 2-fluoroethyl 2-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Name2-fluoroethyl 2-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID25184009
Molecular FormulaC15H11F2N3O2
Molecular Weight303.27 g/mol
Exact Mass303.08
IUPAC Name2-fluoroethyl 2-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESO=C(OCCF)c1ccc2nc(-c3ccc(F)nc3)cn2c1
InChIInChI=1S/C15H11F2N3O2/c16-5-6-22-15(21)11-2-4-14-19-12(9-20(14)8-11)10-1-3-13(17)18-7-10/h1-4,7-9H,5-6H2
InChIKeyRTMNEBMUQREWMJ-UHFFFAOYSA-N
XLogP2.66
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)imidazo[1,2-a]pyridine-6-carbohydrazide
CID 3455990
1-[2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-6-yl]propan-1-one
CID 166038872
methyl 2-[6-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-pyridinyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 59273999
methyl 2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 24993510
2-fluoroethyl 4-[6-[4-(2-fluoroethoxycarbonyl)phenyl]-1,4-dihydro-1,2,4,5-tetrazin-3-yl]benzoate
CID 178022274
[2-(4-ethylphenyl)imidazo[1,2-a]pyridin-6-yl]methanamine
CID 79021351
3-amino-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]propanamide
CID 39187166
5-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-N,N-dimethylpyridin-2-amine
CID 59800676
2-[4-(6-(131I)iodoimidazo[1,2-a]pyridin-2-yl)phenoxy]ethanol
CID 24880820
N'-hydroxy-2-[4-[4-(N'-hydroxycarbamimidoyl)phenyl]phenyl]imidazo[1,2-a]pyridine-6-carboximidamide
CID 72762481
4-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylaniline
CID 87627962
2-(4-fluorophenyl)-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide
CID 97192955

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl 2-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of 2-fluoroethyl 2-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylate (CID 25184009) is 2-fluoroethyl 2-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for 2-fluoroethyl 2-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for 2-fluoroethyl 2-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylate is O=C(OCCF)c1ccc2nc(-c3ccc(F)nc3)cn2c1.
What is the InChIKey of 2-fluoroethyl 2-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is RTMNEBMUQREWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O2/c16-5-6-22-15(21)11-2-4-14-19-12(9-20(14)8-11)10-1-3-13(17)18-7-10/h1-4,7-9H,5-6H2.
What are the key properties of 2-fluoroethyl 2-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylate?
2-fluoroethyl 2-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 303.27 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl 2-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 25184009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).