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

C19H14F2N3O2Pt- — CID 58444382

IUPAC6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum
SMILESCC(C)(c1cccc(C(=O)O)n1)c1cccc(-c2[c-]cc(F)nc2F)n1.[Pt]
InChIInChI=1S/C19H14F2N3O2.Pt/c1-19(2,15-8-4-6-13(23-15)18(25)26)14-7-3-5-12(22-14)11-9-10-16(20)24-17(11)21;/h3-8,10H,1-2H3,(H,25,26);/q-1;
InChIKeyRISUHUPGDKQUMJ-UHFFFAOYSA-N
MW549.41 g/mol
LogP3.64
Rot. Bonds4

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

6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum (PubChem CID 58444382) has the molecular formula C19H14F2N3O2Pt- and a molecular weight of 549.41 g/mol. Its IUPAC name is 6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum.

Molecular Properties

Compound Name6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum
PubChem CID58444382
Molecular FormulaC19H14F2N3O2Pt-
Molecular Weight549.41 g/mol
Exact Mass549.07
IUPAC Name6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum
SMILESCC(C)(c1cccc(C(=O)O)n1)c1cccc(-c2[c-]cc(F)nc2F)n1.[Pt]
InChIInChI=1S/C19H14F2N3O2.Pt/c1-19(2,15-8-4-6-13(23-15)18(25)26)14-7-3-5-12(22-14)11-9-10-16(20)24-17(11)21;/h3-8,10H,1-2H3,(H,25,26);/q-1;
InChIKeyRISUHUPGDKQUMJ-UHFFFAOYSA-N
XLogP3.64
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.41
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[6-(2,6-difluoro-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-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum (CID 58444382) is 6-[2-[6-(2,6-difluoro-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-difluoro-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-difluoro-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(F)nc2F)n1.[Pt].
What is the InChIKey of 6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum?
The InChIKey is RISUHUPGDKQUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N3O2.Pt/c1-19(2,15-8-4-6-13(23-15)18(25)26)14-7-3-5-12(22-14)11-9-10-16(20)24-17(11)21;/h3-8,10H,1-2H3,(H,25,26);/q-1;.
What are the key properties of 6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum?
6-[2-[6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum has a molecular weight of 549.41 g/mol, XLogP of 3.64, 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-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum is sourced from PubChem (CID 58444382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).