4-chloro-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonitrile

C18H10ClFN2O — CID 42624895

IUPAC4-chloro-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(Cl)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C18H10ClFN2O/c19-13-9-15(11-21)22-18(10-13)12-1-5-16(6-2-12)23-17-7-3-14(20)4-8-17/h1-10H
InChIKeyCIWROFIDGQAXAT-UHFFFAOYSA-N
MW324.74 g/mol
LogP5.21
Rot. Bonds3

About 4-chloro-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonitrile

4-chloro-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonitrile (PubChem CID 42624895) has the molecular formula C18H10ClFN2O and a molecular weight of 324.74 g/mol. Its IUPAC name is 4-chloro-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-chloro-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonitrile
PubChem CID42624895
Molecular FormulaC18H10ClFN2O
Molecular Weight324.74 g/mol
Exact Mass324.05
IUPAC Name4-chloro-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(Cl)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C18H10ClFN2O/c19-13-9-15(11-21)22-18(10-13)12-1-5-16(6-2-12)23-17-7-3-14(20)4-8-17/h1-10H
InChIKeyCIWROFIDGQAXAT-UHFFFAOYSA-N
XLogP5.21
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.74
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonitrile?
The IUPAC name of 4-chloro-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonitrile (CID 42624895) is 4-chloro-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-chloro-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-chloro-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonitrile is N#Cc1cc(Cl)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.
What is the InChIKey of 4-chloro-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonitrile?
The InChIKey is CIWROFIDGQAXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClFN2O/c19-13-9-15(11-21)22-18(10-13)12-1-5-16(6-2-12)23-17-7-3-14(20)4-8-17/h1-10H.
What are the key properties of 4-chloro-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonitrile?
4-chloro-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonitrile has a molecular weight of 324.74 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carbonitrile is sourced from PubChem (CID 42624895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).