3-deuterio-4-phenyl-2-pyridin-2-ylpyridine

C16H12N2 — CID 175718581

IUPAC3-deuterio-4-phenyl-2-pyridin-2-ylpyridine
SMILES[2H]c1c(-c2ccccc2)ccnc1-c1ccccn1
InChIInChI=1S/C16H12N2/c1-2-6-13(7-3-1)14-9-11-18-16(12-14)15-8-4-5-10-17-15/h1-12H/i12D
InChIKeyVWOLLRYTQSHWSY-UQBWLURTSA-N
MW233.29 g/mol
LogP3.81
Rot. Bonds2

About 3-deuterio-4-phenyl-2-pyridin-2-ylpyridine

3-deuterio-4-phenyl-2-pyridin-2-ylpyridine (PubChem CID 175718581) has the molecular formula C16H12N2 and a molecular weight of 233.29 g/mol. Its IUPAC name is 3-deuterio-4-phenyl-2-pyridin-2-ylpyridine.

Molecular Properties

Compound Name3-deuterio-4-phenyl-2-pyridin-2-ylpyridine
PubChem CID175718581
Molecular FormulaC16H12N2
Molecular Weight233.29 g/mol
Exact Mass233.11
IUPAC Name3-deuterio-4-phenyl-2-pyridin-2-ylpyridine
SMILES[2H]c1c(-c2ccccc2)ccnc1-c1ccccn1
InChIInChI=1S/C16H12N2/c1-2-6-13(7-3-1)14-9-11-18-16(12-14)15-8-4-5-10-17-15/h1-12H/i12D
InChIKeyVWOLLRYTQSHWSY-UQBWLURTSA-N
XLogP3.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-deuterio-4-phenyl-2-pyridin-2-ylpyridine?
The IUPAC name of 3-deuterio-4-phenyl-2-pyridin-2-ylpyridine (CID 175718581) is 3-deuterio-4-phenyl-2-pyridin-2-ylpyridine.
What is the SMILES notation for 3-deuterio-4-phenyl-2-pyridin-2-ylpyridine?
The canonical SMILES for 3-deuterio-4-phenyl-2-pyridin-2-ylpyridine is [2H]c1c(-c2ccccc2)ccnc1-c1ccccn1.
What is the InChIKey of 3-deuterio-4-phenyl-2-pyridin-2-ylpyridine?
The InChIKey is VWOLLRYTQSHWSY-UQBWLURTSA-N. The full InChI is InChI=1S/C16H12N2/c1-2-6-13(7-3-1)14-9-11-18-16(12-14)15-8-4-5-10-17-15/h1-12H/i12D.
What are the key properties of 3-deuterio-4-phenyl-2-pyridin-2-ylpyridine?
3-deuterio-4-phenyl-2-pyridin-2-ylpyridine has a molecular weight of 233.29 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-deuterio-4-phenyl-2-pyridin-2-ylpyridine is sourced from PubChem (CID 175718581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).