5-[3-(3,4-dichlorophenyl)butan-2-yl]-4-methyl-2-(oxolan-3-yloxy)pyridine

C20H23Cl2NO2 — CID 91357552

IUPAC5-[3-(3,4-dichlorophenyl)butan-2-yl]-4-methyl-2-(oxolan-3-yloxy)pyridine
SMILESCc1cc(OC2CCOC2)ncc1C(C)C(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H23Cl2NO2/c1-12-8-20(25-16-6-7-24-11-16)23-10-17(12)14(3)13(2)15-4-5-18(21)19(22)9-15/h4-5,8-10,13-14,16H,6-7,11H2,1-3H3
InChIKeyMNXJYQCCARKUNN-UHFFFAOYSA-N
MW380.32 g/mol
LogP5.77
Rot. Bonds5

About 5-[3-(3,4-dichlorophenyl)butan-2-yl]-4-methyl-2-(oxolan-3-yloxy)pyridine

5-[3-(3,4-dichlorophenyl)butan-2-yl]-4-methyl-2-(oxolan-3-yloxy)pyridine (PubChem CID 91357552) has the molecular formula C20H23Cl2NO2 and a molecular weight of 380.32 g/mol. Its IUPAC name is 5-[3-(3,4-dichlorophenyl)butan-2-yl]-4-methyl-2-(oxolan-3-yloxy)pyridine.

Molecular Properties

Compound Name5-[3-(3,4-dichlorophenyl)butan-2-yl]-4-methyl-2-(oxolan-3-yloxy)pyridine
PubChem CID91357552
Molecular FormulaC20H23Cl2NO2
Molecular Weight380.32 g/mol
Exact Mass379.11
IUPAC Name5-[3-(3,4-dichlorophenyl)butan-2-yl]-4-methyl-2-(oxolan-3-yloxy)pyridine
SMILESCc1cc(OC2CCOC2)ncc1C(C)C(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H23Cl2NO2/c1-12-8-20(25-16-6-7-24-11-16)23-10-17(12)14(3)13(2)15-4-5-18(21)19(22)9-15/h4-5,8-10,13-14,16H,6-7,11H2,1-3H3
InChIKeyMNXJYQCCARKUNN-UHFFFAOYSA-N
XLogP5.77
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.32
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[3-(3,4-dichlorophenyl)butan-2-yl]-4-methyl-2-(oxolan-3-yloxy)pyridine 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 5-[3-(3,4-dichlorophenyl)butan-2-yl]-4-methyl-2-(oxolan-3-yloxy)pyridine?
The IUPAC name of 5-[3-(3,4-dichlorophenyl)butan-2-yl]-4-methyl-2-(oxolan-3-yloxy)pyridine (CID 91357552) is 5-[3-(3,4-dichlorophenyl)butan-2-yl]-4-methyl-2-(oxolan-3-yloxy)pyridine.
What is the SMILES notation for 5-[3-(3,4-dichlorophenyl)butan-2-yl]-4-methyl-2-(oxolan-3-yloxy)pyridine?
The canonical SMILES for 5-[3-(3,4-dichlorophenyl)butan-2-yl]-4-methyl-2-(oxolan-3-yloxy)pyridine is Cc1cc(OC2CCOC2)ncc1C(C)C(C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-[3-(3,4-dichlorophenyl)butan-2-yl]-4-methyl-2-(oxolan-3-yloxy)pyridine?
The InChIKey is MNXJYQCCARKUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2NO2/c1-12-8-20(25-16-6-7-24-11-16)23-10-17(12)14(3)13(2)15-4-5-18(21)19(22)9-15/h4-5,8-10,13-14,16H,6-7,11H2,1-3H3.
What are the key properties of 5-[3-(3,4-dichlorophenyl)butan-2-yl]-4-methyl-2-(oxolan-3-yloxy)pyridine?
5-[3-(3,4-dichlorophenyl)butan-2-yl]-4-methyl-2-(oxolan-3-yloxy)pyridine has a molecular weight of 380.32 g/mol, XLogP of 5.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3,4-dichlorophenyl)butan-2-yl]-4-methyl-2-(oxolan-3-yloxy)pyridine is sourced from PubChem (CID 91357552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).