2,6-dichloro-3-methyl-5-(2-phenylethyl)pyridine

C14H13Cl2N — CID 15154275

IUPAC2,6-dichloro-3-methyl-5-(2-phenylethyl)pyridine
SMILESCc1cc(CCc2ccccc2)c(Cl)nc1Cl
InChIInChI=1S/C14H13Cl2N/c1-10-9-12(14(16)17-13(10)15)8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3
InChIKeyVRWLQCIOWVNEAJ-UHFFFAOYSA-N
MW266.17 g/mol
LogP4.48
Rot. Bonds3

About 2,6-dichloro-3-methyl-5-(2-phenylethyl)pyridine

2,6-dichloro-3-methyl-5-(2-phenylethyl)pyridine (PubChem CID 15154275) has the molecular formula C14H13Cl2N and a molecular weight of 266.17 g/mol. Its IUPAC name is 2,6-dichloro-3-methyl-5-(2-phenylethyl)pyridine.

Molecular Properties

Compound Name2,6-dichloro-3-methyl-5-(2-phenylethyl)pyridine
PubChem CID15154275
Molecular FormulaC14H13Cl2N
Molecular Weight266.17 g/mol
Exact Mass265.04
IUPAC Name2,6-dichloro-3-methyl-5-(2-phenylethyl)pyridine
SMILESCc1cc(CCc2ccccc2)c(Cl)nc1Cl
InChIInChI=1S/C14H13Cl2N/c1-10-9-12(14(16)17-13(10)15)8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3
InChIKeyVRWLQCIOWVNEAJ-UHFFFAOYSA-N
XLogP4.48
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.17
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-methyl-5-(2-phenylethyl)pyridine?
The IUPAC name of 2,6-dichloro-3-methyl-5-(2-phenylethyl)pyridine (CID 15154275) is 2,6-dichloro-3-methyl-5-(2-phenylethyl)pyridine.
What is the SMILES notation for 2,6-dichloro-3-methyl-5-(2-phenylethyl)pyridine?
The canonical SMILES for 2,6-dichloro-3-methyl-5-(2-phenylethyl)pyridine is Cc1cc(CCc2ccccc2)c(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-3-methyl-5-(2-phenylethyl)pyridine?
The InChIKey is VRWLQCIOWVNEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N/c1-10-9-12(14(16)17-13(10)15)8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3.
What are the key properties of 2,6-dichloro-3-methyl-5-(2-phenylethyl)pyridine?
2,6-dichloro-3-methyl-5-(2-phenylethyl)pyridine has a molecular weight of 266.17 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-methyl-5-(2-phenylethyl)pyridine is sourced from PubChem (CID 15154275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).