2-[4-(2,6-dichloro-4-methylphenyl)butyl]pyridine

C16H17Cl2N — CID 143930714

IUPAC2-[4-(2,6-dichloro-4-methylphenyl)butyl]pyridine
SMILESCc1cc(Cl)c(CCCCc2ccccn2)c(Cl)c1
InChIInChI=1S/C16H17Cl2N/c1-12-10-15(17)14(16(18)11-12)8-3-2-6-13-7-4-5-9-19-13/h4-5,7,9-11H,2-3,6,8H2,1H3
InChIKeyAXUCWRNVQQFVMQ-UHFFFAOYSA-N
MW294.23 g/mol
LogP5.26
Rot. Bonds5

About 2-[4-(2,6-dichloro-4-methylphenyl)butyl]pyridine

2-[4-(2,6-dichloro-4-methylphenyl)butyl]pyridine (PubChem CID 143930714) has the molecular formula C16H17Cl2N and a molecular weight of 294.23 g/mol. Its IUPAC name is 2-[4-(2,6-dichloro-4-methylphenyl)butyl]pyridine.

Molecular Properties

Compound Name2-[4-(2,6-dichloro-4-methylphenyl)butyl]pyridine
PubChem CID143930714
Molecular FormulaC16H17Cl2N
Molecular Weight294.23 g/mol
Exact Mass293.07
IUPAC Name2-[4-(2,6-dichloro-4-methylphenyl)butyl]pyridine
SMILESCc1cc(Cl)c(CCCCc2ccccn2)c(Cl)c1
InChIInChI=1S/C16H17Cl2N/c1-12-10-15(17)14(16(18)11-12)8-3-2-6-13-7-4-5-9-19-13/h4-5,7,9-11H,2-3,6,8H2,1H3
InChIKeyAXUCWRNVQQFVMQ-UHFFFAOYSA-N
XLogP5.26
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.23
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[4-(2,6-dichloro-4-methylphenyl)butyl]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

2-(14-pyridin-2-yltetradecyl)pyridine
CID 10594187
2-methylpyridine;2-(12-pyridin-2-yldodecyl)pyridine
CID 158040240
2-undecylpyridine
CID 66882765
chromium;2-pentylpyridine;hydrochloride
CID 175220071
2-tetradecylpyridine;hydrochloride
CID 45489746
2-hexadecylpyridine;hydrate
CID 141211108
2-(5,5-dimethylhexyl)pyridine
CID 151657269
4-pyridin-2-ylbutylphosphane
CID 175102115
azanium;2-tetradecylpyridine;bromide
CID 157411341
2-(7-phenylheptyl)pyridine
CID 54510986
9-pyridin-2-ylnonan-1-ol
CID 12680899
2-chloro-4-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 32673521

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-dichloro-4-methylphenyl)butyl]pyridine?
The IUPAC name of 2-[4-(2,6-dichloro-4-methylphenyl)butyl]pyridine (CID 143930714) is 2-[4-(2,6-dichloro-4-methylphenyl)butyl]pyridine.
What is the SMILES notation for 2-[4-(2,6-dichloro-4-methylphenyl)butyl]pyridine?
The canonical SMILES for 2-[4-(2,6-dichloro-4-methylphenyl)butyl]pyridine is Cc1cc(Cl)c(CCCCc2ccccn2)c(Cl)c1.
What is the InChIKey of 2-[4-(2,6-dichloro-4-methylphenyl)butyl]pyridine?
The InChIKey is AXUCWRNVQQFVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N/c1-12-10-15(17)14(16(18)11-12)8-3-2-6-13-7-4-5-9-19-13/h4-5,7,9-11H,2-3,6,8H2,1H3.
What are the key properties of 2-[4-(2,6-dichloro-4-methylphenyl)butyl]pyridine?
2-[4-(2,6-dichloro-4-methylphenyl)butyl]pyridine has a molecular weight of 294.23 g/mol, XLogP of 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-dichloro-4-methylphenyl)butyl]pyridine is sourced from PubChem (CID 143930714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).