2,4-dichloro-3-[(6-methyl-5-propan-2-yl-3-pyridinyl)oxy]benzonitrile

C16H14Cl2N2O — CID 167634720

IUPAC2,4-dichloro-3-[(6-methyl-5-propan-2-yl-3-pyridinyl)oxy]benzonitrile
SMILESCc1ncc(Oc2c(Cl)ccc(C#N)c2Cl)cc1C(C)C
InChIInChI=1S/C16H14Cl2N2O/c1-9(2)13-6-12(8-20-10(13)3)21-16-14(17)5-4-11(7-19)15(16)18/h4-6,8-9H,1-3H3
InChIKeyOHRLBFLGMSONJR-UHFFFAOYSA-N
MW321.21 g/mol
LogP5.48
Rot. Bonds3

About 2,4-dichloro-3-[(6-methyl-5-propan-2-yl-3-pyridinyl)oxy]benzonitrile

2,4-dichloro-3-[(6-methyl-5-propan-2-yl-3-pyridinyl)oxy]benzonitrile (PubChem CID 167634720) has the molecular formula C16H14Cl2N2O and a molecular weight of 321.21 g/mol. Its IUPAC name is 2,4-dichloro-3-[(6-methyl-5-propan-2-yl-3-pyridinyl)oxy]benzonitrile.

Molecular Properties

Compound Name2,4-dichloro-3-[(6-methyl-5-propan-2-yl-3-pyridinyl)oxy]benzonitrile
PubChem CID167634720
Molecular FormulaC16H14Cl2N2O
Molecular Weight321.21 g/mol
Exact Mass320.05
IUPAC Name2,4-dichloro-3-[(6-methyl-5-propan-2-yl-3-pyridinyl)oxy]benzonitrile
SMILESCc1ncc(Oc2c(Cl)ccc(C#N)c2Cl)cc1C(C)C
InChIInChI=1S/C16H14Cl2N2O/c1-9(2)13-6-12(8-20-10(13)3)21-16-14(17)5-4-11(7-19)15(16)18/h4-6,8-9H,1-3H3
InChIKeyOHRLBFLGMSONJR-UHFFFAOYSA-N
XLogP5.48
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.21
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,4-dichloro-3-[(6-methyl-5-propan-2-yl-3-pyridinyl)oxy]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-3-[(6-methyl-5-propan-2-yl-3-pyridinyl)oxy]benzonitrile?
The IUPAC name of 2,4-dichloro-3-[(6-methyl-5-propan-2-yl-3-pyridinyl)oxy]benzonitrile (CID 167634720) is 2,4-dichloro-3-[(6-methyl-5-propan-2-yl-3-pyridinyl)oxy]benzonitrile.
What is the SMILES notation for 2,4-dichloro-3-[(6-methyl-5-propan-2-yl-3-pyridinyl)oxy]benzonitrile?
The canonical SMILES for 2,4-dichloro-3-[(6-methyl-5-propan-2-yl-3-pyridinyl)oxy]benzonitrile is Cc1ncc(Oc2c(Cl)ccc(C#N)c2Cl)cc1C(C)C.
What is the InChIKey of 2,4-dichloro-3-[(6-methyl-5-propan-2-yl-3-pyridinyl)oxy]benzonitrile?
The InChIKey is OHRLBFLGMSONJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O/c1-9(2)13-6-12(8-20-10(13)3)21-16-14(17)5-4-11(7-19)15(16)18/h4-6,8-9H,1-3H3.
What are the key properties of 2,4-dichloro-3-[(6-methyl-5-propan-2-yl-3-pyridinyl)oxy]benzonitrile?
2,4-dichloro-3-[(6-methyl-5-propan-2-yl-3-pyridinyl)oxy]benzonitrile has a molecular weight of 321.21 g/mol, XLogP of 5.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-3-[(6-methyl-5-propan-2-yl-3-pyridinyl)oxy]benzonitrile is sourced from PubChem (CID 167634720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).