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

C20H15ClFN — CID 25033653

IUPAC3-[5-(4-fluorophenyl)-3H-inden-1-yl]pyridine;hydrochloride
SMILESCl.Fc1ccc(-c2ccc3c(c2)CC=C3c2cccnc2)cc1
InChIInChI=1S/C20H14FN.ClH/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;1H
InChIKeyCXPNFWFXVCDMOO-UHFFFAOYSA-N
MW323.80 g/mol
LogP5.30
Rot. Bonds2

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

3-[5-(4-fluorophenyl)-3H-inden-1-yl]pyridine;hydrochloride (PubChem CID 25033653) has the molecular formula C20H15ClFN and a molecular weight of 323.80 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-3H-inden-1-yl]pyridine;hydrochloride.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)-3H-inden-1-yl]pyridine;hydrochloride
PubChem CID25033653
Molecular FormulaC20H15ClFN
Molecular Weight323.80 g/mol
Exact Mass323.09
IUPAC Name3-[5-(4-fluorophenyl)-3H-inden-1-yl]pyridine;hydrochloride
SMILESCl.Fc1ccc(-c2ccc3c(c2)CC=C3c2cccnc2)cc1
InChIInChI=1S/C20H14FN.ClH/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;1H
InChIKeyCXPNFWFXVCDMOO-UHFFFAOYSA-N
XLogP5.30
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.80
LogP ≤ 55.30
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;hydrochloride?
The IUPAC name of 3-[5-(4-fluorophenyl)-3H-inden-1-yl]pyridine;hydrochloride (CID 25033653) is 3-[5-(4-fluorophenyl)-3H-inden-1-yl]pyridine;hydrochloride.
What is the SMILES notation for 3-[5-(4-fluorophenyl)-3H-inden-1-yl]pyridine;hydrochloride?
The canonical SMILES for 3-[5-(4-fluorophenyl)-3H-inden-1-yl]pyridine;hydrochloride is Cl.Fc1ccc(-c2ccc3c(c2)CC=C3c2cccnc2)cc1.
What is the InChIKey of 3-[5-(4-fluorophenyl)-3H-inden-1-yl]pyridine;hydrochloride?
The InChIKey is CXPNFWFXVCDMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN.ClH/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;1H.
What are the key properties of 3-[5-(4-fluorophenyl)-3H-inden-1-yl]pyridine;hydrochloride?
3-[5-(4-fluorophenyl)-3H-inden-1-yl]pyridine;hydrochloride has a molecular weight of 323.80 g/mol, XLogP of 5.30, 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;hydrochloride is sourced from PubChem (CID 25033653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).