6-(4-chlorophenyl)-3,3-dimethyl-2-phenyl-2H-pyridine

C19H18ClN — CID 71380053

IUPAC6-(4-chlorophenyl)-3,3-dimethyl-2-phenyl-2H-pyridine
SMILESCC1(C)C=CC(c2ccc(Cl)cc2)=NC1c1ccccc1
InChIInChI=1S/C19H18ClN/c1-19(2)13-12-17(14-8-10-16(20)11-9-14)21-18(19)15-6-4-3-5-7-15/h3-13,18H,1-2H3
InChIKeyACBOUMNUYBOFMG-UHFFFAOYSA-N
MW295.81 g/mol
LogP5.47
Rot. Bonds2

About 6-(4-chlorophenyl)-3,3-dimethyl-2-phenyl-2H-pyridine

6-(4-chlorophenyl)-3,3-dimethyl-2-phenyl-2H-pyridine (PubChem CID 71380053) has the molecular formula C19H18ClN and a molecular weight of 295.81 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3,3-dimethyl-2-phenyl-2H-pyridine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3,3-dimethyl-2-phenyl-2H-pyridine
PubChem CID71380053
Molecular FormulaC19H18ClN
Molecular Weight295.81 g/mol
Exact Mass295.11
IUPAC Name6-(4-chlorophenyl)-3,3-dimethyl-2-phenyl-2H-pyridine
SMILESCC1(C)C=CC(c2ccc(Cl)cc2)=NC1c1ccccc1
InChIInChI=1S/C19H18ClN/c1-19(2)13-12-17(14-8-10-16(20)11-9-14)21-18(19)15-6-4-3-5-7-15/h3-13,18H,1-2H3
InChIKeyACBOUMNUYBOFMG-UHFFFAOYSA-N
XLogP5.47
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.81
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-3,3-dimethyl-2-phenyl-2H-pyridine?
The IUPAC name of 6-(4-chlorophenyl)-3,3-dimethyl-2-phenyl-2H-pyridine (CID 71380053) is 6-(4-chlorophenyl)-3,3-dimethyl-2-phenyl-2H-pyridine.
What is the SMILES notation for 6-(4-chlorophenyl)-3,3-dimethyl-2-phenyl-2H-pyridine?
The canonical SMILES for 6-(4-chlorophenyl)-3,3-dimethyl-2-phenyl-2H-pyridine is CC1(C)C=CC(c2ccc(Cl)cc2)=NC1c1ccccc1.
What is the InChIKey of 6-(4-chlorophenyl)-3,3-dimethyl-2-phenyl-2H-pyridine?
The InChIKey is ACBOUMNUYBOFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN/c1-19(2)13-12-17(14-8-10-16(20)11-9-14)21-18(19)15-6-4-3-5-7-15/h3-13,18H,1-2H3.
What are the key properties of 6-(4-chlorophenyl)-3,3-dimethyl-2-phenyl-2H-pyridine?
6-(4-chlorophenyl)-3,3-dimethyl-2-phenyl-2H-pyridine has a molecular weight of 295.81 g/mol, XLogP of 5.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3,3-dimethyl-2-phenyl-2H-pyridine is sourced from PubChem (CID 71380053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).