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

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

6-[2-[6-[2,6-bis(trifluoromethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum (PubChem CID 59399483) has the molecular formula C21H14F6N3O2Pt- and a molecular weight of 649.43 g/mol. Its IUPAC name is 6-[2-[6-[2,6-bis(trifluoromethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum.

Molecular Properties

Compound Name	6-[2-[6-[2,6-bis(trifluoromethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum
PubChem CID	59399483
Molecular Formula	C21H14F6N3O2Pt-
Molecular Weight	649.43 g/mol
Exact Mass	649.06
IUPAC Name	6-[2-[6-[2,6-bis(trifluoromethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum
SMILES	CC(C)(c1cccc(C(=O)O)n1)c1cccc(-c2[c-]cc(C(F)(F)F)nc2C(F)(F)F)n1.[Pt]
InChI	InChI=1S/C21H14F6N3O2.Pt/c1-19(2,15-8-4-6-13(29-15)18(31)32)14-7-3-5-12(28-14)11-9-10-16(20(22,23)24)30-17(11)21(25,26)27;/h3-8,10H,1-2H3,(H,31,32);/q-1;
InChIKey	ZSKCQFHBBDGAGP-UHFFFAOYSA-N
XLogP	5.40
TPSA	75.97 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	4
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	649.43
LogP ≤ 5	5.40
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 6-[2-[6-[2,6-bis(trifluoromethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum?

The IUPAC name of 6-[2-[6-[2,6-bis(trifluoromethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum (CID 59399483) is 6-[2-[6-[2,6-bis(trifluoromethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum.

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

The canonical SMILES for 6-[2-[6-[2,6-bis(trifluoromethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum is CC(C)(c1cccc(C(=O)O)n1)c1cccc(-c2[c-]cc(C(F)(F)F)nc2C(F)(F)F)n1.[Pt].

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

The InChIKey is ZSKCQFHBBDGAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F6N3O2.Pt/c1-19(2,15-8-4-6-13(29-15)18(31)32)14-7-3-5-12(28-14)11-9-10-16(20(22,23)24)30-17(11)21(25,26)27;/h3-8,10H,1-2H3,(H,31,32);/q-1;.

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

6-[2-[6-[2,6-bis(trifluoromethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum has a molecular weight of 649.43 g/mol, XLogP of 5.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[6-[2,6-bis(trifluoromethyl)-4H-pyridin-4-id-3-yl]-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum is sourced from PubChem (CID 59399483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).