4-[6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine;hydrochloride

C21H19ClFN — CID 25033725

IUPAC4-[6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine;hydrochloride
SMILESCl.Fc1ccc(-c2ccc3c(c2)CCCC3c2ccncc2)cc1
InChIInChI=1S/C21H18FN.ClH/c22-19-7-4-15(5-8-19)17-6-9-21-18(14-17)2-1-3-20(21)16-10-12-23-13-11-16;/h4-14,20H,1-3H2;1H
InChIKeyNBDGMNQECKEFTB-UHFFFAOYSA-N
MW339.84 g/mol
LogP5.78
Rot. Bonds2

About 4-[6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine;hydrochloride

4-[6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine;hydrochloride (PubChem CID 25033725) has the molecular formula C21H19ClFN and a molecular weight of 339.84 g/mol. Its IUPAC name is 4-[6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine;hydrochloride.

Molecular Properties

Compound Name4-[6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine;hydrochloride
PubChem CID25033725
Molecular FormulaC21H19ClFN
Molecular Weight339.84 g/mol
Exact Mass339.12
IUPAC Name4-[6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine;hydrochloride
SMILESCl.Fc1ccc(-c2ccc3c(c2)CCCC3c2ccncc2)cc1
InChIInChI=1S/C21H18FN.ClH/c22-19-7-4-15(5-8-19)17-6-9-21-18(14-17)2-1-3-20(21)16-10-12-23-13-11-16;/h4-14,20H,1-3H2;1H
InChIKeyNBDGMNQECKEFTB-UHFFFAOYSA-N
XLogP5.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.84
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine;hydrochloride?
The IUPAC name of 4-[6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine;hydrochloride (CID 25033725) is 4-[6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine;hydrochloride.
What is the SMILES notation for 4-[6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine;hydrochloride?
The canonical SMILES for 4-[6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine;hydrochloride is Cl.Fc1ccc(-c2ccc3c(c2)CCCC3c2ccncc2)cc1.
What is the InChIKey of 4-[6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine;hydrochloride?
The InChIKey is NBDGMNQECKEFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN.ClH/c22-19-7-4-15(5-8-19)17-6-9-21-18(14-17)2-1-3-20(21)16-10-12-23-13-11-16;/h4-14,20H,1-3H2;1H.
What are the key properties of 4-[6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine;hydrochloride?
4-[6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine;hydrochloride has a molecular weight of 339.84 g/mol, XLogP of 5.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine;hydrochloride is sourced from PubChem (CID 25033725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).