5,5-bis[(2-fluoro-4-pyridinyl)methyl]indeno[1,2-b]pyridine

C24H17F2N3 — CID 10810126

IUPAC5,5-bis[(2-fluoro-4-pyridinyl)methyl]indeno[1,2-b]pyridine
SMILESFc1cc(CC2(Cc3ccnc(F)c3)c3ccccc3-c3ncccc32)ccn1
InChIInChI=1S/C24H17F2N3/c25-21-12-16(7-10-27-21)14-24(15-17-8-11-28-22(26)13-17)19-5-2-1-4-18(19)23-20(24)6-3-9-29-23/h1-13H,14-15H2
InChIKeyOHKWTEXFBIMSOE-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.90
Rot. Bonds4

About 5,5-bis[(2-fluoro-4-pyridinyl)methyl]indeno[1,2-b]pyridine

5,5-bis[(2-fluoro-4-pyridinyl)methyl]indeno[1,2-b]pyridine (PubChem CID 10810126) has the molecular formula C24H17F2N3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 5,5-bis[(2-fluoro-4-pyridinyl)methyl]indeno[1,2-b]pyridine.

Molecular Properties

Compound Name5,5-bis[(2-fluoro-4-pyridinyl)methyl]indeno[1,2-b]pyridine
PubChem CID10810126
Molecular FormulaC24H17F2N3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name5,5-bis[(2-fluoro-4-pyridinyl)methyl]indeno[1,2-b]pyridine
SMILESFc1cc(CC2(Cc3ccnc(F)c3)c3ccccc3-c3ncccc32)ccn1
InChIInChI=1S/C24H17F2N3/c25-21-12-16(7-10-27-21)14-24(15-17-8-11-28-22(26)13-17)19-5-2-1-4-18(19)23-20(24)6-3-9-29-23/h1-13H,14-15H2
InChIKeyOHKWTEXFBIMSOE-UHFFFAOYSA-N
XLogP4.90
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.90
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 5,5-bis[(2-fluoro-4-pyridinyl)methyl]indeno[1,2-b]pyridine?
The IUPAC name of 5,5-bis[(2-fluoro-4-pyridinyl)methyl]indeno[1,2-b]pyridine (CID 10810126) is 5,5-bis[(2-fluoro-4-pyridinyl)methyl]indeno[1,2-b]pyridine.
What is the SMILES notation for 5,5-bis[(2-fluoro-4-pyridinyl)methyl]indeno[1,2-b]pyridine?
The canonical SMILES for 5,5-bis[(2-fluoro-4-pyridinyl)methyl]indeno[1,2-b]pyridine is Fc1cc(CC2(Cc3ccnc(F)c3)c3ccccc3-c3ncccc32)ccn1.
What is the InChIKey of 5,5-bis[(2-fluoro-4-pyridinyl)methyl]indeno[1,2-b]pyridine?
The InChIKey is OHKWTEXFBIMSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N3/c25-21-12-16(7-10-27-21)14-24(15-17-8-11-28-22(26)13-17)19-5-2-1-4-18(19)23-20(24)6-3-9-29-23/h1-13H,14-15H2.
What are the key properties of 5,5-bis[(2-fluoro-4-pyridinyl)methyl]indeno[1,2-b]pyridine?
5,5-bis[(2-fluoro-4-pyridinyl)methyl]indeno[1,2-b]pyridine has a molecular weight of 385.42 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis[(2-fluoro-4-pyridinyl)methyl]indeno[1,2-b]pyridine is sourced from PubChem (CID 10810126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).