5-(dideuteriomethyl)-2-phenylpyridine

C12H11N — CID 159925545

IUPAC5-(dideuteriomethyl)-2-phenylpyridine
SMILES[2H]C([2H])c1ccc(-c2ccccc2)nc1
InChIInChI=1S/C12H11N/c1-10-7-8-12(13-9-10)11-5-3-2-4-6-11/h2-9H,1H3/i1D2
InChIKeyZYLPQYYLLRBVOK-DICFDUPASA-N
MW171.24 g/mol
LogP3.06
Rot. Bonds2

About 5-(dideuteriomethyl)-2-phenylpyridine

5-(dideuteriomethyl)-2-phenylpyridine (PubChem CID 159925545) has the molecular formula C12H11N and a molecular weight of 171.24 g/mol. Its IUPAC name is 5-(dideuteriomethyl)-2-phenylpyridine.

Molecular Properties

Compound Name5-(dideuteriomethyl)-2-phenylpyridine
PubChem CID159925545
Molecular FormulaC12H11N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name5-(dideuteriomethyl)-2-phenylpyridine
SMILES[2H]C([2H])c1ccc(-c2ccccc2)nc1
InChIInChI=1S/C12H11N/c1-10-7-8-12(13-9-10)11-5-3-2-4-6-11/h2-9H,1H3/i1D2
InChIKeyZYLPQYYLLRBVOK-DICFDUPASA-N
XLogP3.06
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethylpropane;5-methyl-2-phenylpyridine
CID 143955006
5-methyl-2-[4-(trideuteriomethyl)phenyl]pyridine
CID 157240275
deuterio-(6-phenyl-3-pyridinyl)-bis(trideuteriomethyl)silane
CID 159672656
5-methyl-2-[3-[3-(5-methyl-2-pyridinyl)phenyl]phenyl]pyridine
CID 171470506
2-phenyl-5-[2-(trideuteriomethyl)phenyl]pyridine
CID 59546973
dimethyl-phenyl-(6-phenyl-3-pyridinyl)silane
CID 132565946
5-(trideuteriomethyl)-2-[3-[2-(trideuteriomethyl)phenyl]phenyl]pyridine
CID 166502915
5-methyl-2-[4-(6-phenylhexyl)phenyl]pyridine
CID 140814097
trimethyl-[3-[5-(trideuteriomethyl)-2-pyridinyl]phenyl]germane
CID 168743695
2-(3,5-dimethylphenyl)-5-(trideuteriomethyl)pyridine
CID 164805039
5-methyl-2-[3-(4-methylphenyl)phenyl]pyridine
CID 59294838
2-[4-[2-[3-[2-[4-[4-(4-phenylphenyl)-2-pyridinyl]phenyl]phenyl]-5-[2-[4-[4-(trideuteriomethyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]-5-(trideuteriomethyl)pyridine
CID 153457967

Frequently Asked Questions

What is the IUPAC name of 5-(dideuteriomethyl)-2-phenylpyridine?
The IUPAC name of 5-(dideuteriomethyl)-2-phenylpyridine (CID 159925545) is 5-(dideuteriomethyl)-2-phenylpyridine.
What is the SMILES notation for 5-(dideuteriomethyl)-2-phenylpyridine?
The canonical SMILES for 5-(dideuteriomethyl)-2-phenylpyridine is [2H]C([2H])c1ccc(-c2ccccc2)nc1.
What is the InChIKey of 5-(dideuteriomethyl)-2-phenylpyridine?
The InChIKey is ZYLPQYYLLRBVOK-DICFDUPASA-N. The full InChI is InChI=1S/C12H11N/c1-10-7-8-12(13-9-10)11-5-3-2-4-6-11/h2-9H,1H3/i1D2.
What are the key properties of 5-(dideuteriomethyl)-2-phenylpyridine?
5-(dideuteriomethyl)-2-phenylpyridine has a molecular weight of 171.24 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dideuteriomethyl)-2-phenylpyridine is sourced from PubChem (CID 159925545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).