2-fluoro-5-(7-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzonitrile

C18H10FN3S — CID 118733888

IUPAC2-fluoro-5-(7-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzonitrile
SMILESN#Cc1cc(-c2cnc3cc(-c4cccs4)ccn23)ccc1F
InChIInChI=1S/C18H10FN3S/c19-15-4-3-12(8-14(15)10-20)16-11-21-18-9-13(5-6-22(16)18)17-2-1-7-23-17/h1-9,11H
InChIKeyZHDWMSDGRNFLKQ-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.74
Rot. Bonds2

About 2-fluoro-5-(7-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzonitrile

2-fluoro-5-(7-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzonitrile (PubChem CID 118733888) has the molecular formula C18H10FN3S and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-fluoro-5-(7-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-(7-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzonitrile
PubChem CID118733888
Molecular FormulaC18H10FN3S
Molecular Weight319.36 g/mol
Exact Mass319.06
IUPAC Name2-fluoro-5-(7-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzonitrile
SMILESN#Cc1cc(-c2cnc3cc(-c4cccs4)ccn23)ccc1F
InChIInChI=1S/C18H10FN3S/c19-15-4-3-12(8-14(15)10-20)16-11-21-18-9-13(5-6-22(16)18)17-2-1-7-23-17/h1-9,11H
InChIKeyZHDWMSDGRNFLKQ-UHFFFAOYSA-N
XLogP4.74
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(7-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzonitrile?
The IUPAC name of 2-fluoro-5-(7-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzonitrile (CID 118733888) is 2-fluoro-5-(7-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzonitrile.
What is the SMILES notation for 2-fluoro-5-(7-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzonitrile?
The canonical SMILES for 2-fluoro-5-(7-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzonitrile is N#Cc1cc(-c2cnc3cc(-c4cccs4)ccn23)ccc1F.
What is the InChIKey of 2-fluoro-5-(7-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzonitrile?
The InChIKey is ZHDWMSDGRNFLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10FN3S/c19-15-4-3-12(8-14(15)10-20)16-11-21-18-9-13(5-6-22(16)18)17-2-1-7-23-17/h1-9,11H.
What are the key properties of 2-fluoro-5-(7-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzonitrile?
2-fluoro-5-(7-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzonitrile has a molecular weight of 319.36 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(7-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl)benzonitrile is sourced from PubChem (CID 118733888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).