2,3,5-trichloro-6-(3-methoxy-3-methylbutoxy)pyridine

C11H14Cl3NO2 — CID 106665577

IUPAC2,3,5-trichloro-6-(3-methoxy-3-methylbutoxy)pyridine
SMILESCOC(C)(C)CCOc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C11H14Cl3NO2/c1-11(2,16-3)4-5-17-10-8(13)6-7(12)9(14)15-10/h6H,4-5H2,1-3H3
InChIKeyBPIGHYJGXOAVPR-UHFFFAOYSA-N
MW298.60 g/mol
LogP4.24
Rot. Bonds5

About 2,3,5-trichloro-6-(3-methoxy-3-methylbutoxy)pyridine

2,3,5-trichloro-6-(3-methoxy-3-methylbutoxy)pyridine (PubChem CID 106665577) has the molecular formula C11H14Cl3NO2 and a molecular weight of 298.60 g/mol. Its IUPAC name is 2,3,5-trichloro-6-(3-methoxy-3-methylbutoxy)pyridine.

Molecular Properties

Compound Name2,3,5-trichloro-6-(3-methoxy-3-methylbutoxy)pyridine
PubChem CID106665577
Molecular FormulaC11H14Cl3NO2
Molecular Weight298.60 g/mol
Exact Mass297.01
IUPAC Name2,3,5-trichloro-6-(3-methoxy-3-methylbutoxy)pyridine
SMILESCOC(C)(C)CCOc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C11H14Cl3NO2/c1-11(2,16-3)4-5-17-10-8(13)6-7(12)9(14)15-10/h6H,4-5H2,1-3H3
InChIKeyBPIGHYJGXOAVPR-UHFFFAOYSA-N
XLogP4.24
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.60
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2,3,5-trichloro-6-(3-methoxy-3-methylbutoxy)pyridine with MolForge

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

Launch Full Analysis

Related Compounds

3,5-dichloro-N-ethyl-6-(3-methoxy-3-methylbutoxy)pyridin-2-amine
CID 106669249
4-chloro-6-(3-methoxy-3-methylbutoxy)-2,5-dimethylpyrimidine
CID 106665556
4-chloro-2-ethyl-6-(3-methoxy-3-methylbutoxy)-5-methylpyrimidine
CID 106665587
2,3,5-trichloro-6-(4-methylpentoxy)pyridine
CID 102749440
1-chloro-4-(3-methoxy-3-methylbutoxy)benzene
CID 102974966
3-chloro-2-(3-methoxy-3-methylbutoxy)pyridine-4-carbonitrile
CID 107059221
5-bromo-6-(3-methoxy-3-methylbutoxy)pyridin-3-amine
CID 106664894
4-(3-methoxy-3-methylbutoxy)-6-propoxypyrimidin-5-amine
CID 106664845
2,3,5-trichloro-6-(1-methoxypropan-2-yloxy)pyridine
CID 102749696
4-chloro-2-(ethoxymethyl)-6-(3-methoxy-3-methylbutoxy)pyrimidine
CID 106665560
2-(3-methoxy-3-methylbutoxy)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 106668273
2-chloro-6-(3-methoxy-3-methylbutoxy)aniline
CID 106664854

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trichloro-6-(3-methoxy-3-methylbutoxy)pyridine?
The IUPAC name of 2,3,5-trichloro-6-(3-methoxy-3-methylbutoxy)pyridine (CID 106665577) is 2,3,5-trichloro-6-(3-methoxy-3-methylbutoxy)pyridine.
What is the SMILES notation for 2,3,5-trichloro-6-(3-methoxy-3-methylbutoxy)pyridine?
The canonical SMILES for 2,3,5-trichloro-6-(3-methoxy-3-methylbutoxy)pyridine is COC(C)(C)CCOc1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2,3,5-trichloro-6-(3-methoxy-3-methylbutoxy)pyridine?
The InChIKey is BPIGHYJGXOAVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl3NO2/c1-11(2,16-3)4-5-17-10-8(13)6-7(12)9(14)15-10/h6H,4-5H2,1-3H3.
What are the key properties of 2,3,5-trichloro-6-(3-methoxy-3-methylbutoxy)pyridine?
2,3,5-trichloro-6-(3-methoxy-3-methylbutoxy)pyridine has a molecular weight of 298.60 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trichloro-6-(3-methoxy-3-methylbutoxy)pyridine is sourced from PubChem (CID 106665577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).