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

C19H12Cl2F2N3O2Pt- — CID 59399350

IUPAC4-chloro-6-[2-[4-chloro-6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum
SMILESCC(C)(c1cc(Cl)cc(C(=O)O)n1)c1cc(Cl)cc(-c2[c-]cc(F)nc2F)n1.[Pt]
InChIInChI=1S/C19H12Cl2F2N3O2.Pt/c1-19(2,15-8-10(21)6-13(25-15)18(27)28)14-7-9(20)5-12(24-14)11-3-4-16(22)26-17(11)23;/h4-8H,1-2H3,(H,27,28);/q-1;
InChIKeyNXVDLLPROYAVMD-UHFFFAOYSA-N
MW618.30 g/mol
LogP4.95
Rot. Bonds4

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

4-chloro-6-[2-[4-chloro-6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum (PubChem CID 59399350) has the molecular formula C19H12Cl2F2N3O2Pt- and a molecular weight of 618.30 g/mol. Its IUPAC name is 4-chloro-6-[2-[4-chloro-6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum.

Molecular Properties

Compound Name4-chloro-6-[2-[4-chloro-6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum
PubChem CID59399350
Molecular FormulaC19H12Cl2F2N3O2Pt-
Molecular Weight618.30 g/mol
Exact Mass616.99
IUPAC Name4-chloro-6-[2-[4-chloro-6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum
SMILESCC(C)(c1cc(Cl)cc(C(=O)O)n1)c1cc(Cl)cc(-c2[c-]cc(F)nc2F)n1.[Pt]
InChIInChI=1S/C19H12Cl2F2N3O2.Pt/c1-19(2,15-8-10(21)6-13(25-15)18(27)28)14-7-9(20)5-12(24-14)11-3-4-16(22)26-17(11)23;/h4-8H,1-2H3,(H,27,28);/q-1;
InChIKeyNXVDLLPROYAVMD-UHFFFAOYSA-N
XLogP4.95
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500618.30
LogP ≤ 54.95
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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[2-[4-chloro-6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum?
The IUPAC name of 4-chloro-6-[2-[4-chloro-6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum (CID 59399350) is 4-chloro-6-[2-[4-chloro-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 4-chloro-6-[2-[4-chloro-6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum?
The canonical SMILES for 4-chloro-6-[2-[4-chloro-6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum is CC(C)(c1cc(Cl)cc(C(=O)O)n1)c1cc(Cl)cc(-c2[c-]cc(F)nc2F)n1.[Pt].
What is the InChIKey of 4-chloro-6-[2-[4-chloro-6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum?
The InChIKey is NXVDLLPROYAVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2F2N3O2.Pt/c1-19(2,15-8-10(21)6-13(25-15)18(27)28)14-7-9(20)5-12(24-14)11-3-4-16(22)26-17(11)23;/h4-8H,1-2H3,(H,27,28);/q-1;.
What are the key properties of 4-chloro-6-[2-[4-chloro-6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid;platinum?
4-chloro-6-[2-[4-chloro-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 618.30 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[2-[4-chloro-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 59399350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).