2-fluoro-4-(5-pyridin-4-yl-5,6,7,8-tetrahydronaphthalen-2-yl)phenol;hydrobromide

C21H19BrFNO — CID 25033810

IUPAC2-fluoro-4-(5-pyridin-4-yl-5,6,7,8-tetrahydronaphthalen-2-yl)phenol;hydrobromide
SMILESBr.Oc1ccc(-c2ccc3c(c2)CCCC3c2ccncc2)cc1F
InChIInChI=1S/C21H18FNO.BrH/c22-20-13-16(5-7-21(20)24)15-4-6-19-17(12-15)2-1-3-18(19)14-8-10-23-11-9-14;/h4-13,18,24H,1-3H2;1H
InChIKeyAFXBTOVGCMXHEH-UHFFFAOYSA-N
MW400.29 g/mol
LogP5.64
Rot. Bonds2

About 2-fluoro-4-(5-pyridin-4-yl-5,6,7,8-tetrahydronaphthalen-2-yl)phenol;hydrobromide

2-fluoro-4-(5-pyridin-4-yl-5,6,7,8-tetrahydronaphthalen-2-yl)phenol;hydrobromide (PubChem CID 25033810) has the molecular formula C21H19BrFNO and a molecular weight of 400.29 g/mol. Its IUPAC name is 2-fluoro-4-(5-pyridin-4-yl-5,6,7,8-tetrahydronaphthalen-2-yl)phenol;hydrobromide.

Molecular Properties

Compound Name2-fluoro-4-(5-pyridin-4-yl-5,6,7,8-tetrahydronaphthalen-2-yl)phenol;hydrobromide
PubChem CID25033810
Molecular FormulaC21H19BrFNO
Molecular Weight400.29 g/mol
Exact Mass399.06
IUPAC Name2-fluoro-4-(5-pyridin-4-yl-5,6,7,8-tetrahydronaphthalen-2-yl)phenol;hydrobromide
SMILESBr.Oc1ccc(-c2ccc3c(c2)CCCC3c2ccncc2)cc1F
InChIInChI=1S/C21H18FNO.BrH/c22-20-13-16(5-7-21(20)24)15-4-6-19-17(12-15)2-1-3-18(19)14-8-10-23-11-9-14;/h4-13,18,24H,1-3H2;1H
InChIKeyAFXBTOVGCMXHEH-UHFFFAOYSA-N
XLogP5.64
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.29
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4'-Dihydroxydiphenyl(2-pyridyl)methane
CID 69046
6-Pyridin-3-ylnaphthalen-2-ol
CID 11514074
6-(3,4-Difluorophenyl)-1-(pyridin-4-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 25033652
4-[5-(Pyridin-4-yl)-7,8-dihydronaphthalen-2-yl]benzene-1,2-diol
CID 25033660
4-[5-(Pyridin-4-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]benzene-1,2-diol
CID 25033728
6-(4-Fluorophenyl)-1-(pyridin-4-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 25033730
6-(3-Fluoro-4-methoxyphenyl)-1-(pyridin-4-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 25033731
2-Fluoro-4-[5-(pyridin-4-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]phenol
CID 25033811
4''-(1-(Pyridin-4-yl)propyl)biphenyl-3-ol
CID 46854448
4''-(2-Methyl-1-(pyridin-4-yl)propyl)biphenyl-3-ol
CID 46854449
3-Fluoro-4''-(1-(pyridin-4-yl)propyl)biphenyl-4-ol
CID 46854606
4''-(Pyridin-4-ylmethyl)biphenyl-3-ol
CID 46901446

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(5-pyridin-4-yl-5,6,7,8-tetrahydronaphthalen-2-yl)phenol;hydrobromide?
The IUPAC name of 2-fluoro-4-(5-pyridin-4-yl-5,6,7,8-tetrahydronaphthalen-2-yl)phenol;hydrobromide (CID 25033810) is 2-fluoro-4-(5-pyridin-4-yl-5,6,7,8-tetrahydronaphthalen-2-yl)phenol;hydrobromide.
What is the SMILES notation for 2-fluoro-4-(5-pyridin-4-yl-5,6,7,8-tetrahydronaphthalen-2-yl)phenol;hydrobromide?
The canonical SMILES for 2-fluoro-4-(5-pyridin-4-yl-5,6,7,8-tetrahydronaphthalen-2-yl)phenol;hydrobromide is Br.Oc1ccc(-c2ccc3c(c2)CCCC3c2ccncc2)cc1F.
What is the InChIKey of 2-fluoro-4-(5-pyridin-4-yl-5,6,7,8-tetrahydronaphthalen-2-yl)phenol;hydrobromide?
The InChIKey is AFXBTOVGCMXHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FNO.BrH/c22-20-13-16(5-7-21(20)24)15-4-6-19-17(12-15)2-1-3-18(19)14-8-10-23-11-9-14;/h4-13,18,24H,1-3H2;1H.
What are the key properties of 2-fluoro-4-(5-pyridin-4-yl-5,6,7,8-tetrahydronaphthalen-2-yl)phenol;hydrobromide?
2-fluoro-4-(5-pyridin-4-yl-5,6,7,8-tetrahydronaphthalen-2-yl)phenol;hydrobromide has a molecular weight of 400.29 g/mol, XLogP of 5.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(5-pyridin-4-yl-5,6,7,8-tetrahydronaphthalen-2-yl)phenol;hydrobromide is sourced from PubChem (CID 25033810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).