5-(2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-3-fluoro-2-hydroxybenzonitrile

C17H12FN3O2 — CID 126687479

IUPAC5-(2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-3-fluoro-2-hydroxybenzonitrile
SMILESCCc1nc2ccccn2c1C(=O)c1cc(F)c(O)c(C#N)c1
InChIInChI=1S/C17H12FN3O2/c1-2-13-15(21-6-4-3-5-14(21)20-13)17(23)10-7-11(9-19)16(22)12(18)8-10/h3-8,22H,2H2,1H3
InChIKeyZJQHXEUMFBYOFE-UHFFFAOYSA-N
MW309.30 g/mol
LogP2.84
Rot. Bonds3

About 5-(2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-3-fluoro-2-hydroxybenzonitrile

5-(2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-3-fluoro-2-hydroxybenzonitrile (PubChem CID 126687479) has the molecular formula C17H12FN3O2 and a molecular weight of 309.30 g/mol. Its IUPAC name is 5-(2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-3-fluoro-2-hydroxybenzonitrile.

Molecular Properties

Compound Name5-(2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-3-fluoro-2-hydroxybenzonitrile
PubChem CID126687479
Molecular FormulaC17H12FN3O2
Molecular Weight309.30 g/mol
Exact Mass309.09
IUPAC Name5-(2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-3-fluoro-2-hydroxybenzonitrile
SMILESCCc1nc2ccccn2c1C(=O)c1cc(F)c(O)c(C#N)c1
InChIInChI=1S/C17H12FN3O2/c1-2-13-15(21-6-4-3-5-14(21)20-13)17(23)10-7-11(9-19)16(22)12(18)8-10/h3-8,22H,2H2,1H3
InChIKeyZJQHXEUMFBYOFE-UHFFFAOYSA-N
XLogP2.84
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Aminoimidazo[1,2-a]pyridine deriv. 16
CID 5330616
Aminoimidazo[1,2-a]pyridine deriv. 21
CID 5330639
Lingdolinurad
CID 126687506
2-Hydroxy-5-imidazo[1,2-a]pyridin-2-ylbenzamide
CID 134149357
US10513523, Example 149
CID 137053642
2-(2-Hydroxy-5-methylbenzoyl)pyrido[1,2-a][1,3]benzimidazole-4-carbonitrile
CID 1484504
5-(6-Fluoroimidazo[1,2-a]pyridin-2-yl)-2-hydroxybenzamide
CID 134145427
(2-Ethylimidazo[1,2-a]pyridin-3-yl)-(4-hydroxyphenyl)methanone
CID 455752
(2-Ethylimidazo[1,2-a]pyridin-3-yl)-(3-hydroxyphenyl)methanone
CID 455753
(2-Hydroxy-5-methylphenyl)-pyrimido[1,2-a]benzimidazol-3-ylmethanone
CID 4692639
(13S)-13-benzyl-11-(2-hydroxyphenyl)-2,8,10,12-tetrazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7,11-pentaen-14-one
CID 136961514
1-[2-Fluoro-3-[3-(4-hydroxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]ethanone
CID 162643694

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-3-fluoro-2-hydroxybenzonitrile?
The IUPAC name of 5-(2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-3-fluoro-2-hydroxybenzonitrile (CID 126687479) is 5-(2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-3-fluoro-2-hydroxybenzonitrile.
What is the SMILES notation for 5-(2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-3-fluoro-2-hydroxybenzonitrile?
The canonical SMILES for 5-(2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-3-fluoro-2-hydroxybenzonitrile is CCc1nc2ccccn2c1C(=O)c1cc(F)c(O)c(C#N)c1.
What is the InChIKey of 5-(2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-3-fluoro-2-hydroxybenzonitrile?
The InChIKey is ZJQHXEUMFBYOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN3O2/c1-2-13-15(21-6-4-3-5-14(21)20-13)17(23)10-7-11(9-19)16(22)12(18)8-10/h3-8,22H,2H2,1H3.
What are the key properties of 5-(2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-3-fluoro-2-hydroxybenzonitrile?
5-(2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-3-fluoro-2-hydroxybenzonitrile has a molecular weight of 309.30 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-3-fluoro-2-hydroxybenzonitrile is sourced from PubChem (CID 126687479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).