3-[5-(4-fluorophenyl)-3H-inden-1-yl]pyridine

C20H14FN — CID 25033654

IUPAC3-[5-(4-fluorophenyl)-3H-inden-1-yl]pyridine
SMILESFc1ccc(-c2ccc3c(c2)CC=C3c2cccnc2)cc1
InChIInChI=1S/C20H14FN/c21-18-7-3-14(4-8-18)15-5-9-19-16(12-15)6-10-20(19)17-2-1-11-22-13-17/h1-5,7-13H,6H2
InChIKeyPXMHLKMARVCKIX-UHFFFAOYSA-N
MW287.34 g/mol
LogP4.88
Rot. Bonds2

About 3-[5-(4-fluorophenyl)-3H-inden-1-yl]pyridine

3-[5-(4-fluorophenyl)-3H-inden-1-yl]pyridine (PubChem CID 25033654) has the molecular formula C20H14FN and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-3H-inden-1-yl]pyridine.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)-3H-inden-1-yl]pyridine
PubChem CID25033654
Molecular FormulaC20H14FN
Molecular Weight287.34 g/mol
Exact Mass287.11
IUPAC Name3-[5-(4-fluorophenyl)-3H-inden-1-yl]pyridine
SMILESFc1ccc(-c2ccc3c(c2)CC=C3c2cccnc2)cc1
InChIInChI=1S/C20H14FN/c21-18-7-3-14(4-8-18)15-5-9-19-16(12-15)6-10-20(19)17-2-1-11-22-13-17/h1-5,7-13H,6H2
InChIKeyPXMHLKMARVCKIX-UHFFFAOYSA-N
XLogP4.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)-3H-inden-1-yl]pyridine?
The IUPAC name of 3-[5-(4-fluorophenyl)-3H-inden-1-yl]pyridine (CID 25033654) is 3-[5-(4-fluorophenyl)-3H-inden-1-yl]pyridine.
What is the SMILES notation for 3-[5-(4-fluorophenyl)-3H-inden-1-yl]pyridine?
The canonical SMILES for 3-[5-(4-fluorophenyl)-3H-inden-1-yl]pyridine is Fc1ccc(-c2ccc3c(c2)CC=C3c2cccnc2)cc1.
What is the InChIKey of 3-[5-(4-fluorophenyl)-3H-inden-1-yl]pyridine?
The InChIKey is PXMHLKMARVCKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN/c21-18-7-3-14(4-8-18)15-5-9-19-16(12-15)6-10-20(19)17-2-1-11-22-13-17/h1-5,7-13H,6H2.
What are the key properties of 3-[5-(4-fluorophenyl)-3H-inden-1-yl]pyridine?
3-[5-(4-fluorophenyl)-3H-inden-1-yl]pyridine has a molecular weight of 287.34 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)-3H-inden-1-yl]pyridine is sourced from PubChem (CID 25033654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).