2-chloro-3-methyl-6-[2-(3-phenylphenyl)ethyl]pyridine

C20H18ClN — CID 59845623

IUPAC2-chloro-3-methyl-6-[2-(3-phenylphenyl)ethyl]pyridine
SMILESCc1ccc(CCc2cccc(-c3ccccc3)c2)nc1Cl
InChIInChI=1S/C20H18ClN/c1-15-10-12-19(22-20(15)21)13-11-16-6-5-9-18(14-16)17-7-3-2-4-8-17/h2-10,12,14H,11,13H2,1H3
InChIKeyQXFNOMGWINTJRW-UHFFFAOYSA-N
MW307.82 g/mol
LogP5.50
Rot. Bonds4

About 2-chloro-3-methyl-6-[2-(3-phenylphenyl)ethyl]pyridine

2-chloro-3-methyl-6-[2-(3-phenylphenyl)ethyl]pyridine (PubChem CID 59845623) has the molecular formula C20H18ClN and a molecular weight of 307.82 g/mol. Its IUPAC name is 2-chloro-3-methyl-6-[2-(3-phenylphenyl)ethyl]pyridine.

Molecular Properties

Compound Name2-chloro-3-methyl-6-[2-(3-phenylphenyl)ethyl]pyridine
PubChem CID59845623
Molecular FormulaC20H18ClN
Molecular Weight307.82 g/mol
Exact Mass307.11
IUPAC Name2-chloro-3-methyl-6-[2-(3-phenylphenyl)ethyl]pyridine
SMILESCc1ccc(CCc2cccc(-c3ccccc3)c2)nc1Cl
InChIInChI=1S/C20H18ClN/c1-15-10-12-19(22-20(15)21)13-11-16-6-5-9-18(14-16)17-7-3-2-4-8-17/h2-10,12,14H,11,13H2,1H3
InChIKeyQXFNOMGWINTJRW-UHFFFAOYSA-N
XLogP5.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.82
LogP ≤ 55.50
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-chloro-3-methyl-6-[2-(3-phenylphenyl)ethyl]pyridine?
The IUPAC name of 2-chloro-3-methyl-6-[2-(3-phenylphenyl)ethyl]pyridine (CID 59845623) is 2-chloro-3-methyl-6-[2-(3-phenylphenyl)ethyl]pyridine.
What is the SMILES notation for 2-chloro-3-methyl-6-[2-(3-phenylphenyl)ethyl]pyridine?
The canonical SMILES for 2-chloro-3-methyl-6-[2-(3-phenylphenyl)ethyl]pyridine is Cc1ccc(CCc2cccc(-c3ccccc3)c2)nc1Cl.
What is the InChIKey of 2-chloro-3-methyl-6-[2-(3-phenylphenyl)ethyl]pyridine?
The InChIKey is QXFNOMGWINTJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN/c1-15-10-12-19(22-20(15)21)13-11-16-6-5-9-18(14-16)17-7-3-2-4-8-17/h2-10,12,14H,11,13H2,1H3.
What are the key properties of 2-chloro-3-methyl-6-[2-(3-phenylphenyl)ethyl]pyridine?
2-chloro-3-methyl-6-[2-(3-phenylphenyl)ethyl]pyridine has a molecular weight of 307.82 g/mol, XLogP of 5.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methyl-6-[2-(3-phenylphenyl)ethyl]pyridine is sourced from PubChem (CID 59845623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).