platinum;6-[2-[6-[6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid

About platinum;6-[2-[6-[6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid

platinum;6-[2-[6-[6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid (PubChem CID 59399052) has the molecular formula C20H15F3N3O2Pt- and a molecular weight of 581.43 g/mol. Its IUPAC name is platinum;6-[2-[6-[6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name	platinum;6-[2-[6-[6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid
PubChem CID	59399052
Molecular Formula	C20H15F3N3O2Pt-
Molecular Weight	581.43 g/mol
Exact Mass	581.08
IUPAC Name	platinum;6-[2-[6-[6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid
SMILES	CC(C)(c1cccc(C(=O)O)n1)c1cccc(-c2[c-]cc(C(F)(F)F)nc2)n1.[Pt]
InChI	InChI=1S/C20H15F3N3O2.Pt/c1-19(2,16-8-4-6-14(26-16)18(27)28)15-7-3-5-13(25-15)12-9-10-17(24-11-12)20(21,22)23;/h3-8,10-11H,1-2H3,(H,27,28);/q-1;
InChIKey	AWYDILIZVKXJHH-UHFFFAOYSA-N
XLogP	4.38
TPSA	75.97 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	4
Heavy Atoms	29
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	581.43
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of platinum;6-[2-[6-[6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid?

The IUPAC name of platinum;6-[2-[6-[6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid (CID 59399052) is platinum;6-[2-[6-[6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid.

What is the SMILES notation for platinum;6-[2-[6-[6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid?

The canonical SMILES for platinum;6-[2-[6-[6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid is CC(C)(c1cccc(C(=O)O)n1)c1cccc(-c2[c-]cc(C(F)(F)F)nc2)n1.[Pt].

What is the InChIKey of platinum;6-[2-[6-[6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid?

The InChIKey is AWYDILIZVKXJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N3O2.Pt/c1-19(2,16-8-4-6-14(26-16)18(27)28)15-7-3-5-13(25-15)12-9-10-17(24-11-12)20(21,22)23;/h3-8,10-11H,1-2H3,(H,27,28);/q-1;.

What are the key properties of platinum;6-[2-[6-[6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid?

platinum;6-[2-[6-[6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid has a molecular weight of 581.43 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for platinum;6-[2-[6-[6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 59399052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).