2-[4-chloro-1-[4-chloro-1-(6-methyl-2-pyridinyl)butoxy]butyl]-6-methylpyridine

C20H26Cl2N2O — CID 56625968

IUPAC2-[4-chloro-1-[4-chloro-1-(6-methyl-2-pyridinyl)butoxy]butyl]-6-methylpyridine
SMILESCc1cccc(C(CCCCl)OC(CCCCl)c2cccc(C)n2)n1
InChIInChI=1S/C20H26Cl2N2O/c1-15-7-3-9-17(23-15)19(11-5-13-21)25-20(12-6-14-22)18-10-4-8-16(2)24-18/h3-4,7-10,19-20H,5-6,11-14H2,1-2H3
InChIKeyHVMQODLRGQHUPG-UHFFFAOYSA-N
MW381.35 g/mol
LogP5.93
Rot. Bonds10

About 2-[4-chloro-1-[4-chloro-1-(6-methyl-2-pyridinyl)butoxy]butyl]-6-methylpyridine

2-[4-chloro-1-[4-chloro-1-(6-methyl-2-pyridinyl)butoxy]butyl]-6-methylpyridine (PubChem CID 56625968) has the molecular formula C20H26Cl2N2O and a molecular weight of 381.35 g/mol. Its IUPAC name is 2-[4-chloro-1-[4-chloro-1-(6-methyl-2-pyridinyl)butoxy]butyl]-6-methylpyridine.

Molecular Properties

Compound Name2-[4-chloro-1-[4-chloro-1-(6-methyl-2-pyridinyl)butoxy]butyl]-6-methylpyridine
PubChem CID56625968
Molecular FormulaC20H26Cl2N2O
Molecular Weight381.35 g/mol
Exact Mass380.14
IUPAC Name2-[4-chloro-1-[4-chloro-1-(6-methyl-2-pyridinyl)butoxy]butyl]-6-methylpyridine
SMILESCc1cccc(C(CCCCl)OC(CCCCl)c2cccc(C)n2)n1
InChIInChI=1S/C20H26Cl2N2O/c1-15-7-3-9-17(23-15)19(11-5-13-21)25-20(12-6-14-22)18-10-4-8-16(2)24-18/h3-4,7-10,19-20H,5-6,11-14H2,1-2H3
InChIKeyHVMQODLRGQHUPG-UHFFFAOYSA-N
XLogP5.93
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.35
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-1-[4-chloro-1-(6-methyl-2-pyridinyl)butoxy]butyl]-6-methylpyridine?
The IUPAC name of 2-[4-chloro-1-[4-chloro-1-(6-methyl-2-pyridinyl)butoxy]butyl]-6-methylpyridine (CID 56625968) is 2-[4-chloro-1-[4-chloro-1-(6-methyl-2-pyridinyl)butoxy]butyl]-6-methylpyridine.
What is the SMILES notation for 2-[4-chloro-1-[4-chloro-1-(6-methyl-2-pyridinyl)butoxy]butyl]-6-methylpyridine?
The canonical SMILES for 2-[4-chloro-1-[4-chloro-1-(6-methyl-2-pyridinyl)butoxy]butyl]-6-methylpyridine is Cc1cccc(C(CCCCl)OC(CCCCl)c2cccc(C)n2)n1.
What is the InChIKey of 2-[4-chloro-1-[4-chloro-1-(6-methyl-2-pyridinyl)butoxy]butyl]-6-methylpyridine?
The InChIKey is HVMQODLRGQHUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26Cl2N2O/c1-15-7-3-9-17(23-15)19(11-5-13-21)25-20(12-6-14-22)18-10-4-8-16(2)24-18/h3-4,7-10,19-20H,5-6,11-14H2,1-2H3.
What are the key properties of 2-[4-chloro-1-[4-chloro-1-(6-methyl-2-pyridinyl)butoxy]butyl]-6-methylpyridine?
2-[4-chloro-1-[4-chloro-1-(6-methyl-2-pyridinyl)butoxy]butyl]-6-methylpyridine has a molecular weight of 381.35 g/mol, XLogP of 5.93, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-1-[4-chloro-1-(6-methyl-2-pyridinyl)butoxy]butyl]-6-methylpyridine is sourced from PubChem (CID 56625968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).