9H-fluoren-9-ylmethyl 3-(5-fluoro-6-methylpyridine-2-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate

C29H27FN2O3 — CID 171943796

About 9H-fluoren-9-ylmethyl 3-(5-fluoro-6-methylpyridine-2-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate

9H-fluoren-9-ylmethyl 3-(5-fluoro-6-methylpyridine-2-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 171943796) has the molecular formula C29H27FN2O3 and a molecular weight of 470.54 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 3-(5-fluoro-6-methylpyridine-2-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

• Compound Name: 9H-fluoren-9-ylmethyl 3-(5-fluoro-6-methylpyridine-2-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
• PubChem CID: 171943796
• Molecular Formula: C29H27FN2O3
• Molecular Weight: 470.54 g/mol
• Exact Mass: 470.20
• IUPAC Name: 9H-fluoren-9-ylmethyl 3-(5-fluoro-6-methylpyridine-2-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
• SMILES: Cc1nc(C(=O)C2CC3CCC(C2)N3C(=O)OCC2c3ccccc3-c3ccccc32)ccc1F
• InChI: InChI=1S/C29H27FN2O3/c1-17-26(30)12-13-27(31-17)28(33)18-14-19-10-11-20(15-18)32(19)29(34)35-16-25-23-8-4-2-6-21(23)22-7-3-5-9-24(22)25/h2-9,12-13,18-20,25H,10-11,14-16H2,1H3
• InChIKey: HEASPPMVFQPVDV-UHFFFAOYSA-N
• XLogP: 5.90
• TPSA: 59.50 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.54
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 3-(5-fluoro-6-methylpyridine-2-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?

The IUPAC name of 9H-fluoren-9-ylmethyl 3-(5-fluoro-6-methylpyridine-2-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 171943796) is 9H-fluoren-9-ylmethyl 3-(5-fluoro-6-methylpyridine-2-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate.

What is the SMILES notation for 9H-fluoren-9-ylmethyl 3-(5-fluoro-6-methylpyridine-2-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?

The canonical SMILES for 9H-fluoren-9-ylmethyl 3-(5-fluoro-6-methylpyridine-2-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate is Cc1nc(C(=O)C2CC3CCC(C2)N3C(=O)OCC2c3ccccc3-c3ccccc32)ccc1F.

What is the InChIKey of 9H-fluoren-9-ylmethyl 3-(5-fluoro-6-methylpyridine-2-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?

The InChIKey is HEASPPMVFQPVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27FN2O3/c1-17-26(30)12-13-27(31-17)28(33)18-14-19-10-11-20(15-18)32(19)29(34)35-16-25-23-8-4-2-6-21(23)22-7-3-5-9-24(22)25/h2-9,12-13,18-20,25H,10-11,14-16H2,1H3.

What are the key properties of 9H-fluoren-9-ylmethyl 3-(5-fluoro-6-methylpyridine-2-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate?

9H-fluoren-9-ylmethyl 3-(5-fluoro-6-methylpyridine-2-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 470.54 g/mol, XLogP of 5.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9H-fluoren-9-ylmethyl 3-(5-fluoro-6-methylpyridine-2-carbonyl)-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 171943796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).