5-fluoro-4-imidazo[1,2-a]pyridin-2-yl-2-(trifluoromethyl)benzonitrile

C15H7F4N3 — CID 22923090

IUPAC5-fluoro-4-imidazo[1,2-a]pyridin-2-yl-2-(trifluoromethyl)benzonitrile
SMILESN#Cc1cc(F)c(-c2cn3ccccc3n2)cc1C(F)(F)F
InChIInChI=1S/C15H7F4N3/c16-12-5-9(7-20)11(15(17,18)19)6-10(12)13-8-22-4-2-1-3-14(22)21-13/h1-6,8H
InChIKeyMEUTXTODSYMVHE-UHFFFAOYSA-N
MW305.23 g/mol
LogP4.03
Rot. Bonds1

About 5-fluoro-4-imidazo[1,2-a]pyridin-2-yl-2-(trifluoromethyl)benzonitrile

5-fluoro-4-imidazo[1,2-a]pyridin-2-yl-2-(trifluoromethyl)benzonitrile (PubChem CID 22923090) has the molecular formula C15H7F4N3 and a molecular weight of 305.23 g/mol. Its IUPAC name is 5-fluoro-4-imidazo[1,2-a]pyridin-2-yl-2-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name5-fluoro-4-imidazo[1,2-a]pyridin-2-yl-2-(trifluoromethyl)benzonitrile
PubChem CID22923090
Molecular FormulaC15H7F4N3
Molecular Weight305.23 g/mol
Exact Mass305.06
IUPAC Name5-fluoro-4-imidazo[1,2-a]pyridin-2-yl-2-(trifluoromethyl)benzonitrile
SMILESN#Cc1cc(F)c(-c2cn3ccccc3n2)cc1C(F)(F)F
InChIInChI=1S/C15H7F4N3/c16-12-5-9(7-20)11(15(17,18)19)6-10(12)13-8-22-4-2-1-3-14(22)21-13/h1-6,8H
InChIKeyMEUTXTODSYMVHE-UHFFFAOYSA-N
XLogP4.03
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.23
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-imidazo[1,2-a]pyridin-2-yl-2-(trifluoromethyl)benzonitrile?
The IUPAC name of 5-fluoro-4-imidazo[1,2-a]pyridin-2-yl-2-(trifluoromethyl)benzonitrile (CID 22923090) is 5-fluoro-4-imidazo[1,2-a]pyridin-2-yl-2-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 5-fluoro-4-imidazo[1,2-a]pyridin-2-yl-2-(trifluoromethyl)benzonitrile?
The canonical SMILES for 5-fluoro-4-imidazo[1,2-a]pyridin-2-yl-2-(trifluoromethyl)benzonitrile is N#Cc1cc(F)c(-c2cn3ccccc3n2)cc1C(F)(F)F.
What is the InChIKey of 5-fluoro-4-imidazo[1,2-a]pyridin-2-yl-2-(trifluoromethyl)benzonitrile?
The InChIKey is MEUTXTODSYMVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F4N3/c16-12-5-9(7-20)11(15(17,18)19)6-10(12)13-8-22-4-2-1-3-14(22)21-13/h1-6,8H.
What are the key properties of 5-fluoro-4-imidazo[1,2-a]pyridin-2-yl-2-(trifluoromethyl)benzonitrile?
5-fluoro-4-imidazo[1,2-a]pyridin-2-yl-2-(trifluoromethyl)benzonitrile has a molecular weight of 305.23 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-imidazo[1,2-a]pyridin-2-yl-2-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 22923090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).