2-(3,4-difluorobenzene-6-id-1-yl)pyridine;pentane-2,4-diol;platinum

C16H18F2NO2Pt- — CID 20767239

IUPAC2-(3,4-difluorobenzene-6-id-1-yl)pyridine;pentane-2,4-diol;platinum
SMILESCC(O)CC(C)O.Fc1c[c-]c(-c2ccccn2)cc1F.[Pt]
InChIInChI=1S/C11H6F2N.C5H12O2.Pt/c12-9-5-4-8(7-10(9)13)11-3-1-2-6-14-11;1-4(6)3-5(2)7;/h1-3,5-7H;4-7H,3H2,1-2H3;/q-1;;
InChIKeyTWXFJDZUZHWCKL-UHFFFAOYSA-N
MW489.40 g/mol
LogP2.96
Rot. Bonds3

About 2-(3,4-difluorobenzene-6-id-1-yl)pyridine;pentane-2,4-diol;platinum

2-(3,4-difluorobenzene-6-id-1-yl)pyridine;pentane-2,4-diol;platinum (PubChem CID 20767239) has the molecular formula C16H18F2NO2Pt- and a molecular weight of 489.40 g/mol. Its IUPAC name is 2-(3,4-difluorobenzene-6-id-1-yl)pyridine;pentane-2,4-diol;platinum.

Molecular Properties

Compound Name2-(3,4-difluorobenzene-6-id-1-yl)pyridine;pentane-2,4-diol;platinum
PubChem CID20767239
Molecular FormulaC16H18F2NO2Pt-
Molecular Weight489.40 g/mol
Exact Mass489.10
IUPAC Name2-(3,4-difluorobenzene-6-id-1-yl)pyridine;pentane-2,4-diol;platinum
SMILESCC(O)CC(C)O.Fc1c[c-]c(-c2ccccn2)cc1F.[Pt]
InChIInChI=1S/C11H6F2N.C5H12O2.Pt/c12-9-5-4-8(7-10(9)13)11-3-1-2-6-14-11;1-4(6)3-5(2)7;/h1-3,5-7H;4-7H,3H2,1-2H3;/q-1;;
InChIKeyTWXFJDZUZHWCKL-UHFFFAOYSA-N
XLogP2.96
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.40
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorobenzene-6-id-1-yl)pyridine;pentane-2,4-diol;platinum?
The IUPAC name of 2-(3,4-difluorobenzene-6-id-1-yl)pyridine;pentane-2,4-diol;platinum (CID 20767239) is 2-(3,4-difluorobenzene-6-id-1-yl)pyridine;pentane-2,4-diol;platinum.
What is the SMILES notation for 2-(3,4-difluorobenzene-6-id-1-yl)pyridine;pentane-2,4-diol;platinum?
The canonical SMILES for 2-(3,4-difluorobenzene-6-id-1-yl)pyridine;pentane-2,4-diol;platinum is CC(O)CC(C)O.Fc1c[c-]c(-c2ccccn2)cc1F.[Pt].
What is the InChIKey of 2-(3,4-difluorobenzene-6-id-1-yl)pyridine;pentane-2,4-diol;platinum?
The InChIKey is TWXFJDZUZHWCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F2N.C5H12O2.Pt/c12-9-5-4-8(7-10(9)13)11-3-1-2-6-14-11;1-4(6)3-5(2)7;/h1-3,5-7H;4-7H,3H2,1-2H3;/q-1;;.
What are the key properties of 2-(3,4-difluorobenzene-6-id-1-yl)pyridine;pentane-2,4-diol;platinum?
2-(3,4-difluorobenzene-6-id-1-yl)pyridine;pentane-2,4-diol;platinum has a molecular weight of 489.40 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorobenzene-6-id-1-yl)pyridine;pentane-2,4-diol;platinum is sourced from PubChem (CID 20767239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).