3-fluoro-5-(3-fluoro-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)pyridine

C24H29F2N — CID 77405721

About 3-fluoro-5-(3-fluoro-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)pyridine

3-fluoro-5-(3-fluoro-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)pyridine (PubChem CID 77405721) has the molecular formula C24H29F2N and a molecular weight of 369.50 g/mol. Its IUPAC name is 3-fluoro-5-(3-fluoro-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)pyridine.

Molecular Properties

• Compound Name: 3-fluoro-5-(3-fluoro-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)pyridine
• PubChem CID: 77405721
• Molecular Formula: C24H29F2N
• Molecular Weight: 369.50 g/mol
• Exact Mass: 369.23
• IUPAC Name: 3-fluoro-5-(3-fluoro-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)pyridine
• SMILES: CC12CCC(F)CC1=CCC1C2CCC2(C)C(c3cncc(F)c3)=CCC12
• InChI: InChI=1S/C24H29F2N/c1-23-9-7-17(25)12-16(23)3-4-19-21-6-5-20(15-11-18(26)14-27-13-15)24(21,2)10-8-22(19)23/h3,5,11,13-14,17,19,21-22H,4,6-10,12H2,1-2H3
• InChIKey: JTENITBMRQBARH-UHFFFAOYSA-N
• XLogP: 6.51
• TPSA: 12.89 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	369.50
LogP ≤ 5	6.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(3-fluoro-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)pyridine?

The IUPAC name of 3-fluoro-5-(3-fluoro-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)pyridine (CID 77405721) is 3-fluoro-5-(3-fluoro-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)pyridine.

What is the SMILES notation for 3-fluoro-5-(3-fluoro-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)pyridine?

The canonical SMILES for 3-fluoro-5-(3-fluoro-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)pyridine is CC12CCC(F)CC1=CCC1C2CCC2(C)C(c3cncc(F)c3)=CCC12.

What is the InChIKey of 3-fluoro-5-(3-fluoro-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)pyridine?

The InChIKey is JTENITBMRQBARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F2N/c1-23-9-7-17(25)12-16(23)3-4-19-21-6-5-20(15-11-18(26)14-27-13-15)24(21,2)10-8-22(19)23/h3,5,11,13-14,17,19,21-22H,4,6-10,12H2,1-2H3.

What are the key properties of 3-fluoro-5-(3-fluoro-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)pyridine?

3-fluoro-5-(3-fluoro-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)pyridine has a molecular weight of 369.50 g/mol, XLogP of 6.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-5-(3-fluoro-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)pyridine is sourced from PubChem (CID 77405721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).