5-deuterio-2-(4-phenylphenyl)pyridine

C17H13N — CID 169291542

IUPAC5-deuterio-2-(4-phenylphenyl)pyridine
SMILES[2H]c1ccc(-c2ccc(-c3ccccc3)cc2)nc1
InChIInChI=1S/C17H13N/c1-2-6-14(7-3-1)15-9-11-16(12-10-15)17-8-4-5-13-18-17/h1-13H/i5D
InChIKeyLFIPLQWBFZMHQX-UICOGKGYSA-N
MW232.30 g/mol
LogP4.42
Rot. Bonds2

About 5-deuterio-2-(4-phenylphenyl)pyridine

5-deuterio-2-(4-phenylphenyl)pyridine (PubChem CID 169291542) has the molecular formula C17H13N and a molecular weight of 232.30 g/mol. Its IUPAC name is 5-deuterio-2-(4-phenylphenyl)pyridine.

Molecular Properties

Compound Name5-deuterio-2-(4-phenylphenyl)pyridine
PubChem CID169291542
Molecular FormulaC17H13N
Molecular Weight232.30 g/mol
Exact Mass232.11
IUPAC Name5-deuterio-2-(4-phenylphenyl)pyridine
SMILES[2H]c1ccc(-c2ccc(-c3ccccc3)cc2)nc1
InChIInChI=1S/C17H13N/c1-2-6-14(7-3-1)15-9-11-16(12-10-15)17-8-4-5-13-18-17/h1-13H/i5D
InChIKeyLFIPLQWBFZMHQX-UICOGKGYSA-N
XLogP4.42
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-deuterio-2-(4-phenylphenyl)pyridine?
The IUPAC name of 5-deuterio-2-(4-phenylphenyl)pyridine (CID 169291542) is 5-deuterio-2-(4-phenylphenyl)pyridine.
What is the SMILES notation for 5-deuterio-2-(4-phenylphenyl)pyridine?
The canonical SMILES for 5-deuterio-2-(4-phenylphenyl)pyridine is [2H]c1ccc(-c2ccc(-c3ccccc3)cc2)nc1.
What is the InChIKey of 5-deuterio-2-(4-phenylphenyl)pyridine?
The InChIKey is LFIPLQWBFZMHQX-UICOGKGYSA-N. The full InChI is InChI=1S/C17H13N/c1-2-6-14(7-3-1)15-9-11-16(12-10-15)17-8-4-5-13-18-17/h1-13H/i5D.
What are the key properties of 5-deuterio-2-(4-phenylphenyl)pyridine?
5-deuterio-2-(4-phenylphenyl)pyridine has a molecular weight of 232.30 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-deuterio-2-(4-phenylphenyl)pyridine is sourced from PubChem (CID 169291542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).