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

C21H18ClF2N — CID 25033808

IUPAC4-[6-(3,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine;hydrochloride
SMILESCl.Fc1ccc(-c2ccc3c(c2)CCCC3c2ccncc2)cc1F
InChIInChI=1S/C21H17F2N.ClH/c22-20-7-5-16(13-21(20)23)15-4-6-19-17(12-15)2-1-3-18(19)14-8-10-24-11-9-14;/h4-13,18H,1-3H2;1H
InChIKeyYGKYXFALHGAEIL-UHFFFAOYSA-N
MW357.83 g/mol
LogP5.92
Rot. Bonds2

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

4-[6-(3,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine;hydrochloride (PubChem CID 25033808) has the molecular formula C21H18ClF2N and a molecular weight of 357.83 g/mol. Its IUPAC name is 4-[6-(3,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine;hydrochloride.

Molecular Properties

Compound Name4-[6-(3,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine;hydrochloride
PubChem CID25033808
Molecular FormulaC21H18ClF2N
Molecular Weight357.83 g/mol
Exact Mass357.11
IUPAC Name4-[6-(3,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine;hydrochloride
SMILESCl.Fc1ccc(-c2ccc3c(c2)CCCC3c2ccncc2)cc1F
InChIInChI=1S/C21H17F2N.ClH/c22-20-7-5-16(13-21(20)23)15-4-6-19-17(12-15)2-1-3-18(19)14-8-10-24-11-9-14;/h4-13,18H,1-3H2;1H
InChIKeyYGKYXFALHGAEIL-UHFFFAOYSA-N
XLogP5.92
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.83
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(3,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine;hydrochloride?
The IUPAC name of 4-[6-(3,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine;hydrochloride (CID 25033808) is 4-[6-(3,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine;hydrochloride.
What is the SMILES notation for 4-[6-(3,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine;hydrochloride?
The canonical SMILES for 4-[6-(3,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine;hydrochloride is Cl.Fc1ccc(-c2ccc3c(c2)CCCC3c2ccncc2)cc1F.
What is the InChIKey of 4-[6-(3,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine;hydrochloride?
The InChIKey is YGKYXFALHGAEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N.ClH/c22-20-7-5-16(13-21(20)23)15-4-6-19-17(12-15)2-1-3-18(19)14-8-10-24-11-9-14;/h4-13,18H,1-3H2;1H.
What are the key properties of 4-[6-(3,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine;hydrochloride?
4-[6-(3,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine;hydrochloride has a molecular weight of 357.83 g/mol, XLogP of 5.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine;hydrochloride is sourced from PubChem (CID 25033808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).