[dideuterio-(2-phenyl-4-pyridinyl)methyl]-tris(trifluoromethyl)germane

C15H10F9GeN — CID 169052705

IUPAC[dideuterio-(2-phenyl-4-pyridinyl)methyl]-tris(trifluoromethyl)germane
SMILES[2H]C([2H])(c1ccnc(-c2ccccc2)c1)[Ge](C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H10F9GeN/c16-13(17,18)25(14(19,20)21,15(22,23)24)9-10-6-7-26-12(8-10)11-4-2-1-3-5-11/h1-8H,9H2/i9D2
InChIKeyPMJVVCZXCYXMBR-KNXIQCGSSA-N
MW449.86 g/mol
LogP5.58
Rot. Bonds3

About [dideuterio-(2-phenyl-4-pyridinyl)methyl]-tris(trifluoromethyl)germane

[dideuterio-(2-phenyl-4-pyridinyl)methyl]-tris(trifluoromethyl)germane (PubChem CID 169052705) has the molecular formula C15H10F9GeN and a molecular weight of 449.86 g/mol. Its IUPAC name is [dideuterio-(2-phenyl-4-pyridinyl)methyl]-tris(trifluoromethyl)germane.

Molecular Properties

Compound Name[dideuterio-(2-phenyl-4-pyridinyl)methyl]-tris(trifluoromethyl)germane
PubChem CID169052705
Molecular FormulaC15H10F9GeN
Molecular Weight449.86 g/mol
Exact Mass451.00
IUPAC Name[dideuterio-(2-phenyl-4-pyridinyl)methyl]-tris(trifluoromethyl)germane
SMILES[2H]C([2H])(c1ccnc(-c2ccccc2)c1)[Ge](C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H10F9GeN/c16-13(17,18)25(14(19,20)21,15(22,23)24)9-10-6-7-26-12(8-10)11-4-2-1-3-5-11/h1-8H,9H2/i9D2
InChIKeyPMJVVCZXCYXMBR-KNXIQCGSSA-N
XLogP5.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.86
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-phenyl-4-pyridinyl)ethanol
CID 117001628
4-benzyl-2-(4-phenylphenyl)pyridine
CID 162707059
[difluoro-(2-phenyl-4-pyridinyl)methyl]-tris(trifluoromethyl)germane
CID 169052669
4-ethyl-2-phenylpyridine;fluoroform;iridium
CID 174671800
4-benzyl-2-(4-fluorophenyl)pyridine
CID 162708320
[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine
CID 68758847
4-[2,6-dideuterio-4-(1,1-dideuterio-3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-2-phenylpyridine
CID 169300841
[2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine;dihydrochloride
CID 171365585
4-ethyl-2-[4-(trifluoromethyl)phenyl]pyridine
CID 145238167
4-(1,1-dideuterio-2-methylpropyl)-2-[3-(2-phenylpropan-2-yl)phenyl]pyridine
CID 162709897
4-[4-(1,1-dideuterio-2-methylpropyl)phenyl]-2-phenylpyridine
CID 166564030
2,2,2-trifluoroacetaldehyde;[2-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanamine
CID 160804055

Frequently Asked Questions

What is the IUPAC name of [dideuterio-(2-phenyl-4-pyridinyl)methyl]-tris(trifluoromethyl)germane?
The IUPAC name of [dideuterio-(2-phenyl-4-pyridinyl)methyl]-tris(trifluoromethyl)germane (CID 169052705) is [dideuterio-(2-phenyl-4-pyridinyl)methyl]-tris(trifluoromethyl)germane.
What is the SMILES notation for [dideuterio-(2-phenyl-4-pyridinyl)methyl]-tris(trifluoromethyl)germane?
The canonical SMILES for [dideuterio-(2-phenyl-4-pyridinyl)methyl]-tris(trifluoromethyl)germane is [2H]C([2H])(c1ccnc(-c2ccccc2)c1)[Ge](C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [dideuterio-(2-phenyl-4-pyridinyl)methyl]-tris(trifluoromethyl)germane?
The InChIKey is PMJVVCZXCYXMBR-KNXIQCGSSA-N. The full InChI is InChI=1S/C15H10F9GeN/c16-13(17,18)25(14(19,20)21,15(22,23)24)9-10-6-7-26-12(8-10)11-4-2-1-3-5-11/h1-8H,9H2/i9D2.
What are the key properties of [dideuterio-(2-phenyl-4-pyridinyl)methyl]-tris(trifluoromethyl)germane?
[dideuterio-(2-phenyl-4-pyridinyl)methyl]-tris(trifluoromethyl)germane has a molecular weight of 449.86 g/mol, XLogP of 5.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [dideuterio-(2-phenyl-4-pyridinyl)methyl]-tris(trifluoromethyl)germane is sourced from PubChem (CID 169052705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).