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

C21H17BrFNO — CID 25033804

IUPAC2-fluoro-4-(5-pyridin-4-yl-7,8-dihydronaphthalen-2-yl)phenol;hydrobromide
SMILESBr.Oc1ccc(-c2ccc3c(c2)CCC=C3c2ccncc2)cc1F
InChIInChI=1S/C21H16FNO.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;/h3-13,24H,1-2H2;1H
InChIKeyPXOBFFWELDGRSQ-UHFFFAOYSA-N
MW398.28 g/mol
LogP5.55
Rot. Bonds2

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

2-fluoro-4-(5-pyridin-4-yl-7,8-dihydronaphthalen-2-yl)phenol;hydrobromide (PubChem CID 25033804) has the molecular formula C21H17BrFNO and a molecular weight of 398.28 g/mol. Its IUPAC name is 2-fluoro-4-(5-pyridin-4-yl-7,8-dihydronaphthalen-2-yl)phenol;hydrobromide.

Molecular Properties

Compound Name2-fluoro-4-(5-pyridin-4-yl-7,8-dihydronaphthalen-2-yl)phenol;hydrobromide
PubChem CID25033804
Molecular FormulaC21H17BrFNO
Molecular Weight398.28 g/mol
Exact Mass397.05
IUPAC Name2-fluoro-4-(5-pyridin-4-yl-7,8-dihydronaphthalen-2-yl)phenol;hydrobromide
SMILESBr.Oc1ccc(-c2ccc3c(c2)CCC=C3c2ccncc2)cc1F
InChIInChI=1S/C21H16FNO.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;/h3-13,24H,1-2H2;1H
InChIKeyPXOBFFWELDGRSQ-UHFFFAOYSA-N
XLogP5.55
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.28
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(5-pyridin-4-yl-7,8-dihydronaphthalen-2-yl)phenol;hydrobromide?
The IUPAC name of 2-fluoro-4-(5-pyridin-4-yl-7,8-dihydronaphthalen-2-yl)phenol;hydrobromide (CID 25033804) is 2-fluoro-4-(5-pyridin-4-yl-7,8-dihydronaphthalen-2-yl)phenol;hydrobromide.
What is the SMILES notation for 2-fluoro-4-(5-pyridin-4-yl-7,8-dihydronaphthalen-2-yl)phenol;hydrobromide?
The canonical SMILES for 2-fluoro-4-(5-pyridin-4-yl-7,8-dihydronaphthalen-2-yl)phenol;hydrobromide is Br.Oc1ccc(-c2ccc3c(c2)CCC=C3c2ccncc2)cc1F.
What is the InChIKey of 2-fluoro-4-(5-pyridin-4-yl-7,8-dihydronaphthalen-2-yl)phenol;hydrobromide?
The InChIKey is PXOBFFWELDGRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FNO.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;/h3-13,24H,1-2H2;1H.
What are the key properties of 2-fluoro-4-(5-pyridin-4-yl-7,8-dihydronaphthalen-2-yl)phenol;hydrobromide?
2-fluoro-4-(5-pyridin-4-yl-7,8-dihydronaphthalen-2-yl)phenol;hydrobromide has a molecular weight of 398.28 g/mol, XLogP of 5.55, 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-7,8-dihydronaphthalen-2-yl)phenol;hydrobromide is sourced from PubChem (CID 25033804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).