5,5-bis[(2-fluoro-4-pyridinyl)methyl]-7-iodoindeno[1,2-b]pyridine

C24H16F2IN3 — CID 19606096

IUPAC5,5-bis[(2-fluoro-4-pyridinyl)methyl]-7-iodoindeno[1,2-b]pyridine
SMILESFc1cc(CC2(Cc3ccnc(F)c3)c3cc(I)ccc3-c3ncccc32)ccn1
InChIInChI=1S/C24H16F2IN3/c25-21-10-15(5-8-28-21)13-24(14-16-6-9-29-22(26)11-16)19-2-1-7-30-23(19)18-4-3-17(27)12-20(18)24/h1-12H,13-14H2
InChIKeyLJVFSEFVAHSXGL-UHFFFAOYSA-N
MW511.31 g/mol
LogP5.51
Rot. Bonds4

About 5,5-bis[(2-fluoro-4-pyridinyl)methyl]-7-iodoindeno[1,2-b]pyridine

5,5-bis[(2-fluoro-4-pyridinyl)methyl]-7-iodoindeno[1,2-b]pyridine (PubChem CID 19606096) has the molecular formula C24H16F2IN3 and a molecular weight of 511.31 g/mol. Its IUPAC name is 5,5-bis[(2-fluoro-4-pyridinyl)methyl]-7-iodoindeno[1,2-b]pyridine.

Molecular Properties

Compound Name5,5-bis[(2-fluoro-4-pyridinyl)methyl]-7-iodoindeno[1,2-b]pyridine
PubChem CID19606096
Molecular FormulaC24H16F2IN3
Molecular Weight511.31 g/mol
Exact Mass511.04
IUPAC Name5,5-bis[(2-fluoro-4-pyridinyl)methyl]-7-iodoindeno[1,2-b]pyridine
SMILESFc1cc(CC2(Cc3ccnc(F)c3)c3cc(I)ccc3-c3ncccc32)ccn1
InChIInChI=1S/C24H16F2IN3/c25-21-10-15(5-8-28-21)13-24(14-16-6-9-29-22(26)11-16)19-2-1-7-30-23(19)18-4-3-17(27)12-20(18)24/h1-12H,13-14H2
InChIKeyLJVFSEFVAHSXGL-UHFFFAOYSA-N
XLogP5.51
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.31
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-bis[(2-fluoro-4-pyridinyl)methyl]-7-iodoindeno[1,2-b]pyridine?
The IUPAC name of 5,5-bis[(2-fluoro-4-pyridinyl)methyl]-7-iodoindeno[1,2-b]pyridine (CID 19606096) is 5,5-bis[(2-fluoro-4-pyridinyl)methyl]-7-iodoindeno[1,2-b]pyridine.
What is the SMILES notation for 5,5-bis[(2-fluoro-4-pyridinyl)methyl]-7-iodoindeno[1,2-b]pyridine?
The canonical SMILES for 5,5-bis[(2-fluoro-4-pyridinyl)methyl]-7-iodoindeno[1,2-b]pyridine is Fc1cc(CC2(Cc3ccnc(F)c3)c3cc(I)ccc3-c3ncccc32)ccn1.
What is the InChIKey of 5,5-bis[(2-fluoro-4-pyridinyl)methyl]-7-iodoindeno[1,2-b]pyridine?
The InChIKey is LJVFSEFVAHSXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F2IN3/c25-21-10-15(5-8-28-21)13-24(14-16-6-9-29-22(26)11-16)19-2-1-7-30-23(19)18-4-3-17(27)12-20(18)24/h1-12H,13-14H2.
What are the key properties of 5,5-bis[(2-fluoro-4-pyridinyl)methyl]-7-iodoindeno[1,2-b]pyridine?
5,5-bis[(2-fluoro-4-pyridinyl)methyl]-7-iodoindeno[1,2-b]pyridine has a molecular weight of 511.31 g/mol, XLogP of 5.51, 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]-7-iodoindeno[1,2-b]pyridine is sourced from PubChem (CID 19606096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).