6-fluoro-N-[2-fluoro-3-[2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-iodo-6-(trifluoromethyl)phenyl]acetyl]phenyl]pyridine-3-carboxamide

C24H11F12IN2O2 — CID 162137381

About 6-fluoro-N-[2-fluoro-3-[2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-iodo-6-(trifluoromethyl)phenyl]acetyl]phenyl]pyridine-3-carboxamide

6-fluoro-N-[2-fluoro-3-[2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-iodo-6-(trifluoromethyl)phenyl]acetyl]phenyl]pyridine-3-carboxamide (PubChem CID 162137381) has the molecular formula C24H11F12IN2O2 and a molecular weight of 714.24 g/mol. Its IUPAC name is 6-fluoro-N-[2-fluoro-3-[2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-iodo-6-(trifluoromethyl)phenyl]acetyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-fluoro-N-[2-fluoro-3-[2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-iodo-6-(trifluoromethyl)phenyl]acetyl]phenyl]pyridine-3-carboxamide
• PubChem CID: 162137381
• Molecular Formula: C24H11F12IN2O2
• Molecular Weight: 714.24 g/mol
• Exact Mass: 713.97
• IUPAC Name: 6-fluoro-N-[2-fluoro-3-[2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-iodo-6-(trifluoromethyl)phenyl]acetyl]phenyl]pyridine-3-carboxamide
• SMILES: O=C(Nc1cccc(C(=O)Cc2c(I)cc(C(F)(C(F)(F)F)C(F)(F)F)cc2C(F)(F)F)c1F)c1ccc(F)nc1
• InChI: InChI=1S/C24H11F12IN2O2/c25-18-5-4-10(9-38-18)20(41)39-16-3-1-2-12(19(16)26)17(40)8-13-14(22(28,29)30)6-11(7-15(13)37)21(27,23(31,32)33)24(34,35)36/h1-7,9H,8H2,(H,39,41)
• InChIKey: ZJLVPDWBYCKYKF-UHFFFAOYSA-N
• XLogP: 7.95
• TPSA: 59.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	714.24
LogP ≤ 5	7.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[2-fluoro-3-[2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-iodo-6-(trifluoromethyl)phenyl]acetyl]phenyl]pyridine-3-carboxamide?

The IUPAC name of 6-fluoro-N-[2-fluoro-3-[2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-iodo-6-(trifluoromethyl)phenyl]acetyl]phenyl]pyridine-3-carboxamide (CID 162137381) is 6-fluoro-N-[2-fluoro-3-[2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-iodo-6-(trifluoromethyl)phenyl]acetyl]phenyl]pyridine-3-carboxamide.

What is the SMILES notation for 6-fluoro-N-[2-fluoro-3-[2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-iodo-6-(trifluoromethyl)phenyl]acetyl]phenyl]pyridine-3-carboxamide?

The canonical SMILES for 6-fluoro-N-[2-fluoro-3-[2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-iodo-6-(trifluoromethyl)phenyl]acetyl]phenyl]pyridine-3-carboxamide is O=C(Nc1cccc(C(=O)Cc2c(I)cc(C(F)(C(F)(F)F)C(F)(F)F)cc2C(F)(F)F)c1F)c1ccc(F)nc1.

What is the InChIKey of 6-fluoro-N-[2-fluoro-3-[2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-iodo-6-(trifluoromethyl)phenyl]acetyl]phenyl]pyridine-3-carboxamide?

The InChIKey is ZJLVPDWBYCKYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H11F12IN2O2/c25-18-5-4-10(9-38-18)20(41)39-16-3-1-2-12(19(16)26)17(40)8-13-14(22(28,29)30)6-11(7-15(13)37)21(27,23(31,32)33)24(34,35)36/h1-7,9H,8H2,(H,39,41).

What are the key properties of 6-fluoro-N-[2-fluoro-3-[2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-iodo-6-(trifluoromethyl)phenyl]acetyl]phenyl]pyridine-3-carboxamide?

6-fluoro-N-[2-fluoro-3-[2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-iodo-6-(trifluoromethyl)phenyl]acetyl]phenyl]pyridine-3-carboxamide has a molecular weight of 714.24 g/mol, XLogP of 7.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-N-[2-fluoro-3-[2-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-iodo-6-(trifluoromethyl)phenyl]acetyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 162137381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).