5-methyl-2-[4-(trideuteriomethyl)phenyl]pyridine

C13H13N — CID 157240275

IUPAC5-methyl-2-[4-(trideuteriomethyl)phenyl]pyridine
SMILES[2H]C([2H])([2H])c1ccc(-c2ccc(C)cn2)cc1
InChIInChI=1S/C13H13N/c1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13/h3-9H,1-2H3/i1D3
InChIKeyPTBRNAVGPWOGSE-FIBGUPNXSA-N
MW186.27 g/mol
LogP3.37
Rot. Bonds2

About 5-methyl-2-[4-(trideuteriomethyl)phenyl]pyridine

5-methyl-2-[4-(trideuteriomethyl)phenyl]pyridine (PubChem CID 157240275) has the molecular formula C13H13N and a molecular weight of 186.27 g/mol. Its IUPAC name is 5-methyl-2-[4-(trideuteriomethyl)phenyl]pyridine.

Molecular Properties

Compound Name5-methyl-2-[4-(trideuteriomethyl)phenyl]pyridine
PubChem CID157240275
Molecular FormulaC13H13N
Molecular Weight186.27 g/mol
Exact Mass186.12
IUPAC Name5-methyl-2-[4-(trideuteriomethyl)phenyl]pyridine
SMILES[2H]C([2H])([2H])c1ccc(-c2ccc(C)cn2)cc1
InChIInChI=1S/C13H13N/c1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13/h3-9H,1-2H3/i1D3
InChIKeyPTBRNAVGPWOGSE-FIBGUPNXSA-N
XLogP3.37
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-(trideuteriomethyl)phenyl]pyridine?
The IUPAC name of 5-methyl-2-[4-(trideuteriomethyl)phenyl]pyridine (CID 157240275) is 5-methyl-2-[4-(trideuteriomethyl)phenyl]pyridine.
What is the SMILES notation for 5-methyl-2-[4-(trideuteriomethyl)phenyl]pyridine?
The canonical SMILES for 5-methyl-2-[4-(trideuteriomethyl)phenyl]pyridine is [2H]C([2H])([2H])c1ccc(-c2ccc(C)cn2)cc1.
What is the InChIKey of 5-methyl-2-[4-(trideuteriomethyl)phenyl]pyridine?
The InChIKey is PTBRNAVGPWOGSE-FIBGUPNXSA-N. The full InChI is InChI=1S/C13H13N/c1-10-3-6-12(7-4-10)13-8-5-11(2)9-14-13/h3-9H,1-2H3/i1D3.
What are the key properties of 5-methyl-2-[4-(trideuteriomethyl)phenyl]pyridine?
5-methyl-2-[4-(trideuteriomethyl)phenyl]pyridine has a molecular weight of 186.27 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-(trideuteriomethyl)phenyl]pyridine is sourced from PubChem (CID 157240275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).