4-(4-fluorophenyl)-2-(4-methoxyphenoxy)pyridine-3-carbonitrile

C19H13FN2O2 — CID 1488779

IUPAC4-(4-fluorophenyl)-2-(4-methoxyphenoxy)pyridine-3-carbonitrile
SMILESCOc1ccc(Oc2nccc(-c3ccc(F)cc3)c2C#N)cc1
InChIInChI=1S/C19H13FN2O2/c1-23-15-6-8-16(9-7-15)24-19-18(12-21)17(10-11-22-19)13-2-4-14(20)5-3-13/h2-11H,1H3
InChIKeyFKTRMFRXCBTNBD-UHFFFAOYSA-N
MW320.32 g/mol
LogP4.56
Rot. Bonds4

About 4-(4-fluorophenyl)-2-(4-methoxyphenoxy)pyridine-3-carbonitrile

4-(4-fluorophenyl)-2-(4-methoxyphenoxy)pyridine-3-carbonitrile (PubChem CID 1488779) has the molecular formula C19H13FN2O2 and a molecular weight of 320.32 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-(4-methoxyphenoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-(4-methoxyphenoxy)pyridine-3-carbonitrile
PubChem CID1488779
Molecular FormulaC19H13FN2O2
Molecular Weight320.32 g/mol
Exact Mass320.10
IUPAC Name4-(4-fluorophenyl)-2-(4-methoxyphenoxy)pyridine-3-carbonitrile
SMILESCOc1ccc(Oc2nccc(-c3ccc(F)cc3)c2C#N)cc1
InChIInChI=1S/C19H13FN2O2/c1-23-15-6-8-16(9-7-15)24-19-18(12-21)17(10-11-22-19)13-2-4-14(20)5-3-13/h2-11H,1H3
InChIKeyFKTRMFRXCBTNBD-UHFFFAOYSA-N
XLogP4.56
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-(4-methoxyphenoxy)pyridine-3-carbonitrile?
The IUPAC name of 4-(4-fluorophenyl)-2-(4-methoxyphenoxy)pyridine-3-carbonitrile (CID 1488779) is 4-(4-fluorophenyl)-2-(4-methoxyphenoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-fluorophenyl)-2-(4-methoxyphenoxy)pyridine-3-carbonitrile?
The canonical SMILES for 4-(4-fluorophenyl)-2-(4-methoxyphenoxy)pyridine-3-carbonitrile is COc1ccc(Oc2nccc(-c3ccc(F)cc3)c2C#N)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-2-(4-methoxyphenoxy)pyridine-3-carbonitrile?
The InChIKey is FKTRMFRXCBTNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O2/c1-23-15-6-8-16(9-7-15)24-19-18(12-21)17(10-11-22-19)13-2-4-14(20)5-3-13/h2-11H,1H3.
What are the key properties of 4-(4-fluorophenyl)-2-(4-methoxyphenoxy)pyridine-3-carbonitrile?
4-(4-fluorophenyl)-2-(4-methoxyphenoxy)pyridine-3-carbonitrile has a molecular weight of 320.32 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-(4-methoxyphenoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 1488779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).