platinum;6-[2-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid

C17H13F3N5O2Pt- — CID 59645677

About platinum;6-[2-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid

platinum;6-[2-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid (PubChem CID 59645677) has the molecular formula C17H13F3N5O2Pt- and a molecular weight of 571.40 g/mol. Its IUPAC name is platinum;6-[2-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: platinum;6-[2-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid
• PubChem CID: 59645677
• Molecular Formula: C17H13F3N5O2Pt-
• Molecular Weight: 571.40 g/mol
• Exact Mass: 571.07
• IUPAC Name: platinum;6-[2-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid
• SMILES: CC(C)(c1cccc(C(=O)O)n1)c1cccc(-c2nc(C(F)(F)F)n[n-]2)n1.[Pt]
• InChI: InChI=1S/C17H14F3N5O2.Pt/c1-16(2,12-8-4-6-10(22-12)14(26)27)11-7-3-5-9(21-11)13-23-15(25-24-13)17(18,19)20;/h3-8H,1-2H3,(H2,21,23,24,25,26,27);/p-1
• InChIKey: CXUPMKQYYGJCDC-UHFFFAOYSA-M
• XLogP: 2.93
• TPSA: 102.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	571.40
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of platinum;6-[2-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid?

The IUPAC name of platinum;6-[2-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid (CID 59645677) is platinum;6-[2-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid.

What is the SMILES notation for platinum;6-[2-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid?

The canonical SMILES for platinum;6-[2-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid is CC(C)(c1cccc(C(=O)O)n1)c1cccc(-c2nc(C(F)(F)F)n[n-]2)n1.[Pt].

What is the InChIKey of platinum;6-[2-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid?

The InChIKey is CXUPMKQYYGJCDC-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H14F3N5O2.Pt/c1-16(2,12-8-4-6-10(22-12)14(26)27)11-7-3-5-9(21-11)13-23-15(25-24-13)17(18,19)20;/h3-8H,1-2H3,(H2,21,23,24,25,26,27);/p-1.

What are the key properties of platinum;6-[2-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid?

platinum;6-[2-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid has a molecular weight of 571.40 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for platinum;6-[2-[6-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 59645677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).