6-(3,4-difluorophenyl)-1-pyridin-4-yl-3,4-dihydro-2H-naphthalen-1-ol

C21H17F2NO — CID 25033652

IUPAC6-(3,4-difluorophenyl)-1-pyridin-4-yl-3,4-dihydro-2H-naphthalen-1-ol
SMILESOC1(c2ccncc2)CCCc2cc(-c3ccc(F)c(F)c3)ccc21
InChIInChI=1S/C21H17F2NO/c22-19-6-4-15(13-20(19)23)14-3-5-18-16(12-14)2-1-9-21(18,25)17-7-10-24-11-8-17/h3-8,10-13,25H,1-2,9H2
InChIKeyZKPQJJRSNGTTFM-UHFFFAOYSA-N
MW337.37 g/mol
LogP4.60
Rot. Bonds2

About 6-(3,4-difluorophenyl)-1-pyridin-4-yl-3,4-dihydro-2H-naphthalen-1-ol

6-(3,4-difluorophenyl)-1-pyridin-4-yl-3,4-dihydro-2H-naphthalen-1-ol (PubChem CID 25033652) has the molecular formula C21H17F2NO and a molecular weight of 337.37 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)-1-pyridin-4-yl-3,4-dihydro-2H-naphthalen-1-ol.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)-1-pyridin-4-yl-3,4-dihydro-2H-naphthalen-1-ol
PubChem CID25033652
Molecular FormulaC21H17F2NO
Molecular Weight337.37 g/mol
Exact Mass337.13
IUPAC Name6-(3,4-difluorophenyl)-1-pyridin-4-yl-3,4-dihydro-2H-naphthalen-1-ol
SMILESOC1(c2ccncc2)CCCc2cc(-c3ccc(F)c(F)c3)ccc21
InChIInChI=1S/C21H17F2NO/c22-19-6-4-15(13-20(19)23)14-3-5-18-16(12-14)2-1-9-21(18,25)17-7-10-24-11-8-17/h3-8,10-13,25H,1-2,9H2
InChIKeyZKPQJJRSNGTTFM-UHFFFAOYSA-N
XLogP4.60
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenyl)-1-pyridin-4-yl-3,4-dihydro-2H-naphthalen-1-ol?
The IUPAC name of 6-(3,4-difluorophenyl)-1-pyridin-4-yl-3,4-dihydro-2H-naphthalen-1-ol (CID 25033652) is 6-(3,4-difluorophenyl)-1-pyridin-4-yl-3,4-dihydro-2H-naphthalen-1-ol.
What is the SMILES notation for 6-(3,4-difluorophenyl)-1-pyridin-4-yl-3,4-dihydro-2H-naphthalen-1-ol?
The canonical SMILES for 6-(3,4-difluorophenyl)-1-pyridin-4-yl-3,4-dihydro-2H-naphthalen-1-ol is OC1(c2ccncc2)CCCc2cc(-c3ccc(F)c(F)c3)ccc21.
What is the InChIKey of 6-(3,4-difluorophenyl)-1-pyridin-4-yl-3,4-dihydro-2H-naphthalen-1-ol?
The InChIKey is ZKPQJJRSNGTTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2NO/c22-19-6-4-15(13-20(19)23)14-3-5-18-16(12-14)2-1-9-21(18,25)17-7-10-24-11-8-17/h3-8,10-13,25H,1-2,9H2.
What are the key properties of 6-(3,4-difluorophenyl)-1-pyridin-4-yl-3,4-dihydro-2H-naphthalen-1-ol?
6-(3,4-difluorophenyl)-1-pyridin-4-yl-3,4-dihydro-2H-naphthalen-1-ol has a molecular weight of 337.37 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenyl)-1-pyridin-4-yl-3,4-dihydro-2H-naphthalen-1-ol is sourced from PubChem (CID 25033652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).