pyridine-3,5-dicarboxylic acid;bis(N-pyridin-2-ylacetamide);bis(1,2,4,5-tetrafluoro-3,6-diiodobenzene)

C33H21F8I4N5O6 — CID 139194797

About pyridine-3,5-dicarboxylic acid;bis(N-pyridin-2-ylacetamide);bis(1,2,4,5-tetrafluoro-3,6-diiodobenzene)

pyridine-3,5-dicarboxylic acid;bis(N-pyridin-2-ylacetamide);bis(1,2,4,5-tetrafluoro-3,6-diiodobenzene) (PubChem CID 139194797) has the molecular formula C33H21F8I4N5O6 and a molecular weight of 1243.16 g/mol. Its IUPAC name is pyridine-3,5-dicarboxylic acid;bis(N-pyridin-2-ylacetamide);bis(1,2,4,5-tetrafluoro-3,6-diiodobenzene).

Molecular Properties

• Compound Name: pyridine-3,5-dicarboxylic acid;bis(N-pyridin-2-ylacetamide);bis(1,2,4,5-tetrafluoro-3,6-diiodobenzene)
• PubChem CID: 139194797
• Molecular Formula: C33H21F8I4N5O6
• Molecular Weight: 1243.16 g/mol
• Exact Mass: 1242.75
• IUPAC Name: pyridine-3,5-dicarboxylic acid;bis(N-pyridin-2-ylacetamide);bis(1,2,4,5-tetrafluoro-3,6-diiodobenzene)
• SMILES: CC(=O)Nc1ccccn1.CC(=O)Nc1ccccn1.Fc1c(F)c(I)c(F)c(F)c1I.Fc1c(F)c(I)c(F)c(F)c1I.O=C(O)c1cncc(C(=O)O)c1
• InChI: InChI=1S/2C7H8N2O.C7H5NO4.2C6F4I2/c2*1-6(10)9-7-4-2-3-5-8-7;9-6(10)4-1-5(7(11)12)3-8-2-4;2*7-1-2(8)6(12)4(10)3(9)5(1)11/h2*2-5H,1H3,(H,8,9,10);1-3H,(H,9,10)(H,11,12)
• InChIKey: LGPFSWAGMGWYFI-UHFFFAOYSA-N
• XLogP: 9.46
• TPSA: 171.47 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1243.16
LogP ≤ 5	9.46
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of pyridine-3,5-dicarboxylic acid;bis(N-pyridin-2-ylacetamide);bis(1,2,4,5-tetrafluoro-3,6-diiodobenzene)?

The IUPAC name of pyridine-3,5-dicarboxylic acid;bis(N-pyridin-2-ylacetamide);bis(1,2,4,5-tetrafluoro-3,6-diiodobenzene) (CID 139194797) is pyridine-3,5-dicarboxylic acid;bis(N-pyridin-2-ylacetamide);bis(1,2,4,5-tetrafluoro-3,6-diiodobenzene).

What is the SMILES notation for pyridine-3,5-dicarboxylic acid;bis(N-pyridin-2-ylacetamide);bis(1,2,4,5-tetrafluoro-3,6-diiodobenzene)?

The canonical SMILES for pyridine-3,5-dicarboxylic acid;bis(N-pyridin-2-ylacetamide);bis(1,2,4,5-tetrafluoro-3,6-diiodobenzene) is CC(=O)Nc1ccccn1.CC(=O)Nc1ccccn1.Fc1c(F)c(I)c(F)c(F)c1I.Fc1c(F)c(I)c(F)c(F)c1I.O=C(O)c1cncc(C(=O)O)c1.

What is the InChIKey of pyridine-3,5-dicarboxylic acid;bis(N-pyridin-2-ylacetamide);bis(1,2,4,5-tetrafluoro-3,6-diiodobenzene)?

The InChIKey is LGPFSWAGMGWYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H8N2O.C7H5NO4.2C6F4I2/c2*1-6(10)9-7-4-2-3-5-8-7;9-6(10)4-1-5(7(11)12)3-8-2-4;2*7-1-2(8)6(12)4(10)3(9)5(1)11/h2*2-5H,1H3,(H,8,9,10);1-3H,(H,9,10)(H,11,12);;.

What are the key properties of pyridine-3,5-dicarboxylic acid;bis(N-pyridin-2-ylacetamide);bis(1,2,4,5-tetrafluoro-3,6-diiodobenzene)?

pyridine-3,5-dicarboxylic acid;bis(N-pyridin-2-ylacetamide);bis(1,2,4,5-tetrafluoro-3,6-diiodobenzene) has a molecular weight of 1243.16 g/mol, XLogP of 9.46, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for pyridine-3,5-dicarboxylic acid;bis(N-pyridin-2-ylacetamide);bis(1,2,4,5-tetrafluoro-3,6-diiodobenzene) is sourced from PubChem (CID 139194797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).