5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(oxolan-3-yloxy)pyridine-3-carbonitrile

C22H15Cl3N2O2 — CID 10195058

IUPAC5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(oxolan-3-yloxy)pyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1OC1CCOC1
InChIInChI=1S/C22H15Cl3N2O2/c23-15-3-1-13(2-4-15)19-9-14(11-26)22(29-17-7-8-28-12-17)27-21(19)18-6-5-16(24)10-20(18)25/h1-6,9-10,17H,7-8,12H2
InChIKeyWWFVJABFOVSPCE-UHFFFAOYSA-N
MW445.73 g/mol
LogP6.42
Rot. Bonds4

About 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(oxolan-3-yloxy)pyridine-3-carbonitrile

5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(oxolan-3-yloxy)pyridine-3-carbonitrile (PubChem CID 10195058) has the molecular formula C22H15Cl3N2O2 and a molecular weight of 445.73 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(oxolan-3-yloxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(oxolan-3-yloxy)pyridine-3-carbonitrile
PubChem CID10195058
Molecular FormulaC22H15Cl3N2O2
Molecular Weight445.73 g/mol
Exact Mass444.02
IUPAC Name5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(oxolan-3-yloxy)pyridine-3-carbonitrile
SMILESN#Cc1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1OC1CCOC1
InChIInChI=1S/C22H15Cl3N2O2/c23-15-3-1-13(2-4-15)19-9-14(11-26)22(29-17-7-8-28-12-17)27-21(19)18-6-5-16(24)10-20(18)25/h1-6,9-10,17H,7-8,12H2
InChIKeyWWFVJABFOVSPCE-UHFFFAOYSA-N
XLogP6.42
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.73
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(oxolan-3-yloxy)pyridine-3-carbonitrile?
The IUPAC name of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(oxolan-3-yloxy)pyridine-3-carbonitrile (CID 10195058) is 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(oxolan-3-yloxy)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(oxolan-3-yloxy)pyridine-3-carbonitrile?
The canonical SMILES for 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(oxolan-3-yloxy)pyridine-3-carbonitrile is N#Cc1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1OC1CCOC1.
What is the InChIKey of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(oxolan-3-yloxy)pyridine-3-carbonitrile?
The InChIKey is WWFVJABFOVSPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl3N2O2/c23-15-3-1-13(2-4-15)19-9-14(11-26)22(29-17-7-8-28-12-17)27-21(19)18-6-5-16(24)10-20(18)25/h1-6,9-10,17H,7-8,12H2.
What are the key properties of 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(oxolan-3-yloxy)pyridine-3-carbonitrile?
5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(oxolan-3-yloxy)pyridine-3-carbonitrile has a molecular weight of 445.73 g/mol, XLogP of 6.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(oxolan-3-yloxy)pyridine-3-carbonitrile is sourced from PubChem (CID 10195058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).