4-(4-fluorophenyl)-5-[[2-(trifluoromethyl)-4-pyridinyl]methoxy]pyridine-2-carbonitrile

C19H11F4N3O — CID 122539726

IUPAC4-(4-fluorophenyl)-5-[[2-(trifluoromethyl)-4-pyridinyl]methoxy]pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2ccc(F)cc2)c(OCc2ccnc(C(F)(F)F)c2)cn1
InChIInChI=1S/C19H11F4N3O/c20-14-3-1-13(2-4-14)16-8-15(9-24)26-10-17(16)27-11-12-5-6-25-18(7-12)19(21,22)23/h1-8,10H,11H2
InChIKeyUFIVTXNSFHFFDD-UHFFFAOYSA-N
MW373.31 g/mol
LogP4.75
Rot. Bonds4

About 4-(4-fluorophenyl)-5-[[2-(trifluoromethyl)-4-pyridinyl]methoxy]pyridine-2-carbonitrile

4-(4-fluorophenyl)-5-[[2-(trifluoromethyl)-4-pyridinyl]methoxy]pyridine-2-carbonitrile (PubChem CID 122539726) has the molecular formula C19H11F4N3O and a molecular weight of 373.31 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-[[2-(trifluoromethyl)-4-pyridinyl]methoxy]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-[[2-(trifluoromethyl)-4-pyridinyl]methoxy]pyridine-2-carbonitrile
PubChem CID122539726
Molecular FormulaC19H11F4N3O
Molecular Weight373.31 g/mol
Exact Mass373.08
IUPAC Name4-(4-fluorophenyl)-5-[[2-(trifluoromethyl)-4-pyridinyl]methoxy]pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2ccc(F)cc2)c(OCc2ccnc(C(F)(F)F)c2)cn1
InChIInChI=1S/C19H11F4N3O/c20-14-3-1-13(2-4-14)16-8-15(9-24)26-10-17(16)27-11-12-5-6-25-18(7-12)19(21,22)23/h1-8,10H,11H2
InChIKeyUFIVTXNSFHFFDD-UHFFFAOYSA-N
XLogP4.75
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.31
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-[[2-(trifluoromethyl)-4-pyridinyl]methoxy]pyridine-2-carbonitrile?
The IUPAC name of 4-(4-fluorophenyl)-5-[[2-(trifluoromethyl)-4-pyridinyl]methoxy]pyridine-2-carbonitrile (CID 122539726) is 4-(4-fluorophenyl)-5-[[2-(trifluoromethyl)-4-pyridinyl]methoxy]pyridine-2-carbonitrile.
What is the SMILES notation for 4-(4-fluorophenyl)-5-[[2-(trifluoromethyl)-4-pyridinyl]methoxy]pyridine-2-carbonitrile?
The canonical SMILES for 4-(4-fluorophenyl)-5-[[2-(trifluoromethyl)-4-pyridinyl]methoxy]pyridine-2-carbonitrile is N#Cc1cc(-c2ccc(F)cc2)c(OCc2ccnc(C(F)(F)F)c2)cn1.
What is the InChIKey of 4-(4-fluorophenyl)-5-[[2-(trifluoromethyl)-4-pyridinyl]methoxy]pyridine-2-carbonitrile?
The InChIKey is UFIVTXNSFHFFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F4N3O/c20-14-3-1-13(2-4-14)16-8-15(9-24)26-10-17(16)27-11-12-5-6-25-18(7-12)19(21,22)23/h1-8,10H,11H2.
What are the key properties of 4-(4-fluorophenyl)-5-[[2-(trifluoromethyl)-4-pyridinyl]methoxy]pyridine-2-carbonitrile?
4-(4-fluorophenyl)-5-[[2-(trifluoromethyl)-4-pyridinyl]methoxy]pyridine-2-carbonitrile has a molecular weight of 373.31 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-[[2-(trifluoromethyl)-4-pyridinyl]methoxy]pyridine-2-carbonitrile is sourced from PubChem (CID 122539726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).