carbanide;2-phenyl-4-(trifluoromethyl)pyridine;platinum

C14H13F3NPt-3 — CID 21044188

IUPACcarbanide;2-phenyl-4-(trifluoromethyl)pyridine;platinum
SMILESFC(F)(F)c1ccnc(-c2[c-]cccc2)c1.[CH3-].[CH3-].[Pt]
InChIInChI=1S/C12H7F3N.2CH3.Pt/c13-12(14,15)10-6-7-16-11(8-10)9-4-2-1-3-5-9;;;/h1-4,6-8H;2*1H3;/q3*-1;
InChIKeyBGOYBHWLMLKLTM-UHFFFAOYSA-N
MW447.34 g/mol
LogP4.47
Rot. Bonds1

About carbanide;2-phenyl-4-(trifluoromethyl)pyridine;platinum

carbanide;2-phenyl-4-(trifluoromethyl)pyridine;platinum (PubChem CID 21044188) has the molecular formula C14H13F3NPt-3 and a molecular weight of 447.34 g/mol. Its IUPAC name is carbanide;2-phenyl-4-(trifluoromethyl)pyridine;platinum.

Molecular Properties

Compound Namecarbanide;2-phenyl-4-(trifluoromethyl)pyridine;platinum
PubChem CID21044188
Molecular FormulaC14H13F3NPt-3
Molecular Weight447.34 g/mol
Exact Mass447.07
IUPAC Namecarbanide;2-phenyl-4-(trifluoromethyl)pyridine;platinum
SMILESFC(F)(F)c1ccnc(-c2[c-]cccc2)c1.[CH3-].[CH3-].[Pt]
InChIInChI=1S/C12H7F3N.2CH3.Pt/c13-12(14,15)10-6-7-16-11(8-10)9-4-2-1-3-5-9;;;/h1-4,6-8H;2*1H3;/q3*-1;
InChIKeyBGOYBHWLMLKLTM-UHFFFAOYSA-N
XLogP4.47
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.34
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

Nicotine
CID 89594
Triprolidine
CID 5282443
3-(1-Methylpyrrolidin-2-yl)pyridine
CID 942
Myosmine
CID 442649
5-Ethyl-2-methylpyridine
CID 7728
Anabaseine
CID 18985
2,4-Dimethylpyridine
CID 7936
3-Butylpyridine
CID 10874
2-(3-Phenylpropyl)Pyridine
CID 459494
2,3-Lutidine
CID 11420
(R)-Nicotine
CID 157672
3-Ethyl-4-methylpyridine
CID 68254

Frequently Asked Questions

What is the IUPAC name of carbanide;2-phenyl-4-(trifluoromethyl)pyridine;platinum?
The IUPAC name of carbanide;2-phenyl-4-(trifluoromethyl)pyridine;platinum (CID 21044188) is carbanide;2-phenyl-4-(trifluoromethyl)pyridine;platinum.
What is the SMILES notation for carbanide;2-phenyl-4-(trifluoromethyl)pyridine;platinum?
The canonical SMILES for carbanide;2-phenyl-4-(trifluoromethyl)pyridine;platinum is FC(F)(F)c1ccnc(-c2[c-]cccc2)c1.[CH3-].[CH3-].[Pt].
What is the InChIKey of carbanide;2-phenyl-4-(trifluoromethyl)pyridine;platinum?
The InChIKey is BGOYBHWLMLKLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N.2CH3.Pt/c13-12(14,15)10-6-7-16-11(8-10)9-4-2-1-3-5-9;;;/h1-4,6-8H;2*1H3;/q3*-1;.
What are the key properties of carbanide;2-phenyl-4-(trifluoromethyl)pyridine;platinum?
carbanide;2-phenyl-4-(trifluoromethyl)pyridine;platinum has a molecular weight of 447.34 g/mol, XLogP of 4.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;2-phenyl-4-(trifluoromethyl)pyridine;platinum is sourced from PubChem (CID 21044188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).