2-(3,5-difluorophenyl)-5-(trideuteriomethyl)pyridine

C12H9F2N — CID 168822983

IUPAC2-(3,5-difluorophenyl)-5-(trideuteriomethyl)pyridine
SMILES[2H]C([2H])([2H])c1ccc(-c2cc(F)cc(F)c2)nc1
InChIInChI=1S/C12H9F2N/c1-8-2-3-12(15-7-8)9-4-10(13)6-11(14)5-9/h2-7H,1H3/i1D3
InChIKeyRLPMAFMTCQTJTN-FIBGUPNXSA-N
MW208.23 g/mol
LogP3.34
Rot. Bonds2

About 2-(3,5-difluorophenyl)-5-(trideuteriomethyl)pyridine

2-(3,5-difluorophenyl)-5-(trideuteriomethyl)pyridine (PubChem CID 168822983) has the molecular formula C12H9F2N and a molecular weight of 208.23 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-5-(trideuteriomethyl)pyridine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-5-(trideuteriomethyl)pyridine
PubChem CID168822983
Molecular FormulaC12H9F2N
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Name2-(3,5-difluorophenyl)-5-(trideuteriomethyl)pyridine
SMILES[2H]C([2H])([2H])c1ccc(-c2cc(F)cc(F)c2)nc1
InChIInChI=1S/C12H9F2N/c1-8-2-3-12(15-7-8)9-4-10(13)6-11(14)5-9/h2-7H,1H3/i1D3
InChIKeyRLPMAFMTCQTJTN-FIBGUPNXSA-N
XLogP3.34
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-5-(trideuteriomethyl)pyridine?
The IUPAC name of 2-(3,5-difluorophenyl)-5-(trideuteriomethyl)pyridine (CID 168822983) is 2-(3,5-difluorophenyl)-5-(trideuteriomethyl)pyridine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-5-(trideuteriomethyl)pyridine?
The canonical SMILES for 2-(3,5-difluorophenyl)-5-(trideuteriomethyl)pyridine is [2H]C([2H])([2H])c1ccc(-c2cc(F)cc(F)c2)nc1.
What is the InChIKey of 2-(3,5-difluorophenyl)-5-(trideuteriomethyl)pyridine?
The InChIKey is RLPMAFMTCQTJTN-FIBGUPNXSA-N. The full InChI is InChI=1S/C12H9F2N/c1-8-2-3-12(15-7-8)9-4-10(13)6-11(14)5-9/h2-7H,1H3/i1D3.
What are the key properties of 2-(3,5-difluorophenyl)-5-(trideuteriomethyl)pyridine?
2-(3,5-difluorophenyl)-5-(trideuteriomethyl)pyridine has a molecular weight of 208.23 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-5-(trideuteriomethyl)pyridine is sourced from PubChem (CID 168822983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).