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

C21H16ClF2N — CID 25033657

IUPAC4-[6-(3,4-difluorophenyl)-3,4-dihydronaphthalen-1-yl]pyridine;hydrochloride
SMILESCl.Fc1ccc(-c2ccc3c(c2)CCC=C3c2ccncc2)cc1F
InChIInChI=1S/C21H15F2N.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;/h3-13H,1-2H2;1H
InChIKeyMCXOBRFKSNUMRX-UHFFFAOYSA-N
MW355.82 g/mol
LogP5.83
Rot. Bonds2

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

4-[6-(3,4-difluorophenyl)-3,4-dihydronaphthalen-1-yl]pyridine;hydrochloride (PubChem CID 25033657) has the molecular formula C21H16ClF2N and a molecular weight of 355.82 g/mol. Its IUPAC name is 4-[6-(3,4-difluorophenyl)-3,4-dihydronaphthalen-1-yl]pyridine;hydrochloride.

Molecular Properties

Compound Name4-[6-(3,4-difluorophenyl)-3,4-dihydronaphthalen-1-yl]pyridine;hydrochloride
PubChem CID25033657
Molecular FormulaC21H16ClF2N
Molecular Weight355.82 g/mol
Exact Mass355.09
IUPAC Name4-[6-(3,4-difluorophenyl)-3,4-dihydronaphthalen-1-yl]pyridine;hydrochloride
SMILESCl.Fc1ccc(-c2ccc3c(c2)CCC=C3c2ccncc2)cc1F
InChIInChI=1S/C21H15F2N.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;/h3-13H,1-2H2;1H
InChIKeyMCXOBRFKSNUMRX-UHFFFAOYSA-N
XLogP5.83
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.82
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-Phenylpyridine
CID 13651
3-Phenylpyridine
CID 13886
4-(3-Phenylpropyl)pyridine
CID 74937
4-Benzylpyridine
CID 16458
3-Benzhydrylpyridine
CID 77251
4-Benzhydrylpyridine
CID 77252
4-Chlorobenzo(f)isoquinoline
CID 11401613
3-Phenyl-4-propylpyridine
CID 104638
3-(Naphthalen-2-yl)pyridine
CID 11845485
6-(4-Methylpyridin-3-yl)-2-naphthonitrile
CID 25034343
4-Fluoren-9-ylidenemethyl-pyridine
CID 256445
3-(9h-Fluoren-9-ylidenemethyl)pyridine
CID 256446

Frequently Asked Questions

What is the IUPAC name of 4-[6-(3,4-difluorophenyl)-3,4-dihydronaphthalen-1-yl]pyridine;hydrochloride?
The IUPAC name of 4-[6-(3,4-difluorophenyl)-3,4-dihydronaphthalen-1-yl]pyridine;hydrochloride (CID 25033657) is 4-[6-(3,4-difluorophenyl)-3,4-dihydronaphthalen-1-yl]pyridine;hydrochloride.
What is the SMILES notation for 4-[6-(3,4-difluorophenyl)-3,4-dihydronaphthalen-1-yl]pyridine;hydrochloride?
The canonical SMILES for 4-[6-(3,4-difluorophenyl)-3,4-dihydronaphthalen-1-yl]pyridine;hydrochloride is Cl.Fc1ccc(-c2ccc3c(c2)CCC=C3c2ccncc2)cc1F.
What is the InChIKey of 4-[6-(3,4-difluorophenyl)-3,4-dihydronaphthalen-1-yl]pyridine;hydrochloride?
The InChIKey is MCXOBRFKSNUMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N.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;/h3-13H,1-2H2;1H.
What are the key properties of 4-[6-(3,4-difluorophenyl)-3,4-dihydronaphthalen-1-yl]pyridine;hydrochloride?
4-[6-(3,4-difluorophenyl)-3,4-dihydronaphthalen-1-yl]pyridine;hydrochloride has a molecular weight of 355.82 g/mol, XLogP of 5.83, 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)-3,4-dihydronaphthalen-1-yl]pyridine;hydrochloride is sourced from PubChem (CID 25033657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).