4-(4-fluorophenyl)-5-(pyridin-4-ylmethoxy)pyridine-2-carbonitrile

C18H12FN3O — CID 122539609

IUPAC4-(4-fluorophenyl)-5-(pyridin-4-ylmethoxy)pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2ccc(F)cc2)c(OCc2ccncc2)cn1
InChIInChI=1S/C18H12FN3O/c19-15-3-1-14(2-4-15)17-9-16(10-20)22-11-18(17)23-12-13-5-7-21-8-6-13/h1-9,11H,12H2
InChIKeySSRIQLOJBDKUNZ-UHFFFAOYSA-N
MW305.31 g/mol
LogP3.73
Rot. Bonds4

About 4-(4-fluorophenyl)-5-(pyridin-4-ylmethoxy)pyridine-2-carbonitrile

4-(4-fluorophenyl)-5-(pyridin-4-ylmethoxy)pyridine-2-carbonitrile (PubChem CID 122539609) has the molecular formula C18H12FN3O and a molecular weight of 305.31 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-(pyridin-4-ylmethoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-(pyridin-4-ylmethoxy)pyridine-2-carbonitrile
PubChem CID122539609
Molecular FormulaC18H12FN3O
Molecular Weight305.31 g/mol
Exact Mass305.10
IUPAC Name4-(4-fluorophenyl)-5-(pyridin-4-ylmethoxy)pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2ccc(F)cc2)c(OCc2ccncc2)cn1
InChIInChI=1S/C18H12FN3O/c19-15-3-1-14(2-4-15)17-9-16(10-20)22-11-18(17)23-12-13-5-7-21-8-6-13/h1-9,11H,12H2
InChIKeySSRIQLOJBDKUNZ-UHFFFAOYSA-N
XLogP3.73
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 53.73
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-(pyridin-4-ylmethoxy)pyridine-2-carbonitrile?
The IUPAC name of 4-(4-fluorophenyl)-5-(pyridin-4-ylmethoxy)pyridine-2-carbonitrile (CID 122539609) is 4-(4-fluorophenyl)-5-(pyridin-4-ylmethoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(4-fluorophenyl)-5-(pyridin-4-ylmethoxy)pyridine-2-carbonitrile?
The canonical SMILES for 4-(4-fluorophenyl)-5-(pyridin-4-ylmethoxy)pyridine-2-carbonitrile is N#Cc1cc(-c2ccc(F)cc2)c(OCc2ccncc2)cn1.
What is the InChIKey of 4-(4-fluorophenyl)-5-(pyridin-4-ylmethoxy)pyridine-2-carbonitrile?
The InChIKey is SSRIQLOJBDKUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O/c19-15-3-1-14(2-4-15)17-9-16(10-20)22-11-18(17)23-12-13-5-7-21-8-6-13/h1-9,11H,12H2.
What are the key properties of 4-(4-fluorophenyl)-5-(pyridin-4-ylmethoxy)pyridine-2-carbonitrile?
4-(4-fluorophenyl)-5-(pyridin-4-ylmethoxy)pyridine-2-carbonitrile has a molecular weight of 305.31 g/mol, XLogP of 3.73, 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-(pyridin-4-ylmethoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 122539609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).