4-(4-fluorophenyl)-5-(2-pyridin-3-ylethoxy)pyridine-2-carbonitrile

C19H14FN3O — CID 122539624

IUPAC4-(4-fluorophenyl)-5-(2-pyridin-3-ylethoxy)pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2ccc(F)cc2)c(OCCc2cccnc2)cn1
InChIInChI=1S/C19H14FN3O/c20-16-5-3-15(4-6-16)18-10-17(11-21)23-13-19(18)24-9-7-14-2-1-8-22-12-14/h1-6,8,10,12-13H,7,9H2
InChIKeyQMYNGNQFQMXKER-UHFFFAOYSA-N
MW319.34 g/mol
LogP3.78
Rot. Bonds5

About 4-(4-fluorophenyl)-5-(2-pyridin-3-ylethoxy)pyridine-2-carbonitrile

4-(4-fluorophenyl)-5-(2-pyridin-3-ylethoxy)pyridine-2-carbonitrile (PubChem CID 122539624) has the molecular formula C19H14FN3O and a molecular weight of 319.34 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-(2-pyridin-3-ylethoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-(2-pyridin-3-ylethoxy)pyridine-2-carbonitrile
PubChem CID122539624
Molecular FormulaC19H14FN3O
Molecular Weight319.34 g/mol
Exact Mass319.11
IUPAC Name4-(4-fluorophenyl)-5-(2-pyridin-3-ylethoxy)pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2ccc(F)cc2)c(OCCc2cccnc2)cn1
InChIInChI=1S/C19H14FN3O/c20-16-5-3-15(4-6-16)18-10-17(11-21)23-13-19(18)24-9-7-14-2-1-8-22-12-14/h1-6,8,10,12-13H,7,9H2
InChIKeyQMYNGNQFQMXKER-UHFFFAOYSA-N
XLogP3.78
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pilavapadin
CID 118419773
Aqw-051
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6-({[5-({[2-(3-Fluorophenyl)ethyl]amino}methyl)pyridin-3-Yl]oxy}methyl)-4-Methylpyridin-2-Amine
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(R)-4-(5-(Pyrrolidin-3-ylmethoxy)-2-(p-tolyl)pyridin-3-yl)benzonitrile
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(R)-4-(3-(4-((3-Fluorophenyl)(hydroxy)(pyridin-2-yl)methyl)piperidin-1-yl)propoxy)benzonitrile
CID 71777738
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-(2-pyridin-4-yl-ethyl)-pyridine
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5-(3-Pyridyl)-3-(1-methyl-2-(s)-pyrrolidinylmethoxy)pyridine
CID 15480241
3-(4-Fluoro-phenyl)-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridine
CID 15480242
3-[5-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridin-3-yl]-quinoline
CID 44372369

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-(2-pyridin-3-ylethoxy)pyridine-2-carbonitrile?
The IUPAC name of 4-(4-fluorophenyl)-5-(2-pyridin-3-ylethoxy)pyridine-2-carbonitrile (CID 122539624) is 4-(4-fluorophenyl)-5-(2-pyridin-3-ylethoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(4-fluorophenyl)-5-(2-pyridin-3-ylethoxy)pyridine-2-carbonitrile?
The canonical SMILES for 4-(4-fluorophenyl)-5-(2-pyridin-3-ylethoxy)pyridine-2-carbonitrile is N#Cc1cc(-c2ccc(F)cc2)c(OCCc2cccnc2)cn1.
What is the InChIKey of 4-(4-fluorophenyl)-5-(2-pyridin-3-ylethoxy)pyridine-2-carbonitrile?
The InChIKey is QMYNGNQFQMXKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O/c20-16-5-3-15(4-6-16)18-10-17(11-21)23-13-19(18)24-9-7-14-2-1-8-22-12-14/h1-6,8,10,12-13H,7,9H2.
What are the key properties of 4-(4-fluorophenyl)-5-(2-pyridin-3-ylethoxy)pyridine-2-carbonitrile?
4-(4-fluorophenyl)-5-(2-pyridin-3-ylethoxy)pyridine-2-carbonitrile has a molecular weight of 319.34 g/mol, XLogP of 3.78, 5 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-pyridin-3-ylethoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 122539624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).