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

C25H18F2N2 — CID 54310430

IUPAC2-fluoro-4-[[9-[(2-fluoro-4-pyridinyl)methyl]fluoren-9-yl]methyl]pyridine
SMILESFc1cc(CC2(Cc3ccnc(F)c3)c3ccccc3-c3ccccc32)ccn1
InChIInChI=1S/C25H18F2N2/c26-23-13-17(9-11-28-23)15-25(16-18-10-12-29-24(27)14-18)21-7-3-1-5-19(21)20-6-2-4-8-22(20)25/h1-14H,15-16H2
InChIKeySKMHTGKUBZVOMZ-UHFFFAOYSA-N
MW384.43 g/mol
LogP5.51
Rot. Bonds4

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

2-fluoro-4-[[9-[(2-fluoro-4-pyridinyl)methyl]fluoren-9-yl]methyl]pyridine (PubChem CID 54310430) has the molecular formula C25H18F2N2 and a molecular weight of 384.43 g/mol. Its IUPAC name is 2-fluoro-4-[[9-[(2-fluoro-4-pyridinyl)methyl]fluoren-9-yl]methyl]pyridine.

Molecular Properties

Compound Name2-fluoro-4-[[9-[(2-fluoro-4-pyridinyl)methyl]fluoren-9-yl]methyl]pyridine
PubChem CID54310430
Molecular FormulaC25H18F2N2
Molecular Weight384.43 g/mol
Exact Mass384.14
IUPAC Name2-fluoro-4-[[9-[(2-fluoro-4-pyridinyl)methyl]fluoren-9-yl]methyl]pyridine
SMILESFc1cc(CC2(Cc3ccnc(F)c3)c3ccccc3-c3ccccc32)ccn1
InChIInChI=1S/C25H18F2N2/c26-23-13-17(9-11-28-23)15-25(16-18-10-12-29-24(27)14-18)21-7-3-1-5-19(21)20-6-2-4-8-22(20)25/h1-14H,15-16H2
InChIKeySKMHTGKUBZVOMZ-UHFFFAOYSA-N
XLogP5.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.43
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzylviologen
CID 14196
4,4'-Diphenyl-2,2'-bipyridine
CID 80259
4-Fluoren-9-ylidenemethyl-pyridine
CID 256445
3-(9h-Fluoren-9-ylidenemethyl)pyridine
CID 256446
(3-Pyridylmethylene)indane 1a
CID 6539759
3-[(1Z)-2,3-dihydro-1H-inden-1-ylidenemethyl]pyridine
CID 6539760
(3-Pyridylmethylene)indane 5a
CID 6539763
3-{[(1Z)-5-fluoro-2,3-dihydro-1H-inden-1-ylidene]methyl}pyridine
CID 6539764
(3-Pyridylmethylene)indane 24a
CID 6539783
4-[(1Z)-2,3-dihydro-1H-inden-1-ylidenemethyl]pyridine
CID 6539786
(4-Pyridylmethylene)indane 6a
CID 6539788
4-{[(1Z)-5-fluoro-2,3-dihydro-1H-inden-1-ylidene]methyl}pyridine
CID 6539789

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[[9-[(2-fluoro-4-pyridinyl)methyl]fluoren-9-yl]methyl]pyridine?
The IUPAC name of 2-fluoro-4-[[9-[(2-fluoro-4-pyridinyl)methyl]fluoren-9-yl]methyl]pyridine (CID 54310430) is 2-fluoro-4-[[9-[(2-fluoro-4-pyridinyl)methyl]fluoren-9-yl]methyl]pyridine.
What is the SMILES notation for 2-fluoro-4-[[9-[(2-fluoro-4-pyridinyl)methyl]fluoren-9-yl]methyl]pyridine?
The canonical SMILES for 2-fluoro-4-[[9-[(2-fluoro-4-pyridinyl)methyl]fluoren-9-yl]methyl]pyridine is Fc1cc(CC2(Cc3ccnc(F)c3)c3ccccc3-c3ccccc32)ccn1.
What is the InChIKey of 2-fluoro-4-[[9-[(2-fluoro-4-pyridinyl)methyl]fluoren-9-yl]methyl]pyridine?
The InChIKey is SKMHTGKUBZVOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F2N2/c26-23-13-17(9-11-28-23)15-25(16-18-10-12-29-24(27)14-18)21-7-3-1-5-19(21)20-6-2-4-8-22(20)25/h1-14H,15-16H2.
What are the key properties of 2-fluoro-4-[[9-[(2-fluoro-4-pyridinyl)methyl]fluoren-9-yl]methyl]pyridine?
2-fluoro-4-[[9-[(2-fluoro-4-pyridinyl)methyl]fluoren-9-yl]methyl]pyridine has a molecular weight of 384.43 g/mol, XLogP of 5.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[[9-[(2-fluoro-4-pyridinyl)methyl]fluoren-9-yl]methyl]pyridine is sourced from PubChem (CID 54310430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).