2-fluoro-4-[[9-[(2-fluoro-4-pyridinyl)methyl]-2-methoxyfluoren-9-yl]methyl]pyridine

C26H20F2N2O — CID 19606066

IUPAC2-fluoro-4-[[9-[(2-fluoro-4-pyridinyl)methyl]-2-methoxyfluoren-9-yl]methyl]pyridine
SMILESCOc1ccc2c(c1)C(Cc1ccnc(F)c1)(Cc1ccnc(F)c1)c1ccccc1-2
InChIInChI=1S/C26H20F2N2O/c1-31-19-6-7-21-20-4-2-3-5-22(20)26(23(21)14-19,15-17-8-10-29-24(27)12-17)16-18-9-11-30-25(28)13-18/h2-14H,15-16H2,1H3
InChIKeyFKYIAROVRADQIT-UHFFFAOYSA-N
MW414.46 g/mol
LogP5.52
Rot. Bonds5

About 2-fluoro-4-[[9-[(2-fluoro-4-pyridinyl)methyl]-2-methoxyfluoren-9-yl]methyl]pyridine

2-fluoro-4-[[9-[(2-fluoro-4-pyridinyl)methyl]-2-methoxyfluoren-9-yl]methyl]pyridine (PubChem CID 19606066) has the molecular formula C26H20F2N2O and a molecular weight of 414.46 g/mol. Its IUPAC name is 2-fluoro-4-[[9-[(2-fluoro-4-pyridinyl)methyl]-2-methoxyfluoren-9-yl]methyl]pyridine.

Molecular Properties

Compound Name2-fluoro-4-[[9-[(2-fluoro-4-pyridinyl)methyl]-2-methoxyfluoren-9-yl]methyl]pyridine
PubChem CID19606066
Molecular FormulaC26H20F2N2O
Molecular Weight414.46 g/mol
Exact Mass414.15
IUPAC Name2-fluoro-4-[[9-[(2-fluoro-4-pyridinyl)methyl]-2-methoxyfluoren-9-yl]methyl]pyridine
SMILESCOc1ccc2c(c1)C(Cc1ccnc(F)c1)(Cc1ccnc(F)c1)c1ccccc1-2
InChIInChI=1S/C26H20F2N2O/c1-31-19-6-7-21-20-4-2-3-5-22(20)26(23(21)14-19,15-17-8-10-29-24(27)12-17)16-18-9-11-30-25(28)13-18/h2-14H,15-16H2,1H3
InChIKeyFKYIAROVRADQIT-UHFFFAOYSA-N
XLogP5.52
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.46
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[[9-[(2-fluoro-4-pyridinyl)methyl]-2-methoxyfluoren-9-yl]methyl]pyridine?
The IUPAC name of 2-fluoro-4-[[9-[(2-fluoro-4-pyridinyl)methyl]-2-methoxyfluoren-9-yl]methyl]pyridine (CID 19606066) is 2-fluoro-4-[[9-[(2-fluoro-4-pyridinyl)methyl]-2-methoxyfluoren-9-yl]methyl]pyridine.
What is the SMILES notation for 2-fluoro-4-[[9-[(2-fluoro-4-pyridinyl)methyl]-2-methoxyfluoren-9-yl]methyl]pyridine?
The canonical SMILES for 2-fluoro-4-[[9-[(2-fluoro-4-pyridinyl)methyl]-2-methoxyfluoren-9-yl]methyl]pyridine is COc1ccc2c(c1)C(Cc1ccnc(F)c1)(Cc1ccnc(F)c1)c1ccccc1-2.
What is the InChIKey of 2-fluoro-4-[[9-[(2-fluoro-4-pyridinyl)methyl]-2-methoxyfluoren-9-yl]methyl]pyridine?
The InChIKey is FKYIAROVRADQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F2N2O/c1-31-19-6-7-21-20-4-2-3-5-22(20)26(23(21)14-19,15-17-8-10-29-24(27)12-17)16-18-9-11-30-25(28)13-18/h2-14H,15-16H2,1H3.
What are the key properties of 2-fluoro-4-[[9-[(2-fluoro-4-pyridinyl)methyl]-2-methoxyfluoren-9-yl]methyl]pyridine?
2-fluoro-4-[[9-[(2-fluoro-4-pyridinyl)methyl]-2-methoxyfluoren-9-yl]methyl]pyridine has a molecular weight of 414.46 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[[9-[(2-fluoro-4-pyridinyl)methyl]-2-methoxyfluoren-9-yl]methyl]pyridine is sourced from PubChem (CID 19606066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).