1-(5-bromo-2-pyridinyl)-3-naphthalen-1-ylpropan-2-ol

C18H16BrNO — CID 105126282

IUPAC1-(5-bromo-2-pyridinyl)-3-naphthalen-1-ylpropan-2-ol
SMILESOC(Cc1ccc(Br)cn1)Cc1cccc2ccccc12
InChIInChI=1S/C18H16BrNO/c19-15-8-9-16(20-12-15)11-17(21)10-14-6-3-5-13-4-1-2-7-18(13)14/h1-9,12,17,21H,10-11H2
InChIKeyHXTBMLWYQWLUCY-UHFFFAOYSA-N
MW342.24 g/mol
LogP4.14
Rot. Bonds4

About 1-(5-bromo-2-pyridinyl)-3-naphthalen-1-ylpropan-2-ol

1-(5-bromo-2-pyridinyl)-3-naphthalen-1-ylpropan-2-ol (PubChem CID 105126282) has the molecular formula C18H16BrNO and a molecular weight of 342.24 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-3-naphthalen-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-3-naphthalen-1-ylpropan-2-ol
PubChem CID105126282
Molecular FormulaC18H16BrNO
Molecular Weight342.24 g/mol
Exact Mass341.04
IUPAC Name1-(5-bromo-2-pyridinyl)-3-naphthalen-1-ylpropan-2-ol
SMILESOC(Cc1ccc(Br)cn1)Cc1cccc2ccccc12
InChIInChI=1S/C18H16BrNO/c19-15-8-9-16(20-12-15)11-17(21)10-14-6-3-5-13-4-1-2-7-18(13)14/h1-9,12,17,21H,10-11H2
InChIKeyHXTBMLWYQWLUCY-UHFFFAOYSA-N
XLogP4.14
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-pyridinyl)-1-(2-methylquinolin-4-yl)ethanol
CID 104802241
1-naphthalen-1-yl-3-thiophen-2-ylpropan-2-ol
CID 62606396
1-(5-bromo-2-pyridinyl)-3-thiophen-3-ylpropan-2-ol
CID 105126288
(2S)-3-(5-bromo-2-pyridinyl)-1,1,1-trifluoropropan-2-ol
CID 104800606
1-(dimethylamino)-3-naphthalen-1-ylpropan-2-ol
CID 79088048
3-(5-bromo-2-pyridinyl)-2-hydroxypropanal
CID 104802202
1-(5-bromo-2-pyridinyl)-3-(2-fluorophenyl)propan-2-amine
CID 113454867
1-chloro-2-naphthalen-1-ylethanol
CID 54087449
2-(5-bromo-2-pyridinyl)-1-(3,5-dibromophenyl)ethanol
CID 107978662
5,5-dimethyl-1-naphthalen-1-ylhexan-2-ol
CID 105091563
1-(5-bromo-2-pyridinyl)-3-(4-chlorophenoxy)propan-2-ol
CID 105126126
1-(5-bromo-2-pyridinyl)-5-methoxy-4-methylpentan-2-ol
CID 105126245

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-3-naphthalen-1-ylpropan-2-ol?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-3-naphthalen-1-ylpropan-2-ol (CID 105126282) is 1-(5-bromo-2-pyridinyl)-3-naphthalen-1-ylpropan-2-ol.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-3-naphthalen-1-ylpropan-2-ol?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-3-naphthalen-1-ylpropan-2-ol is OC(Cc1ccc(Br)cn1)Cc1cccc2ccccc12.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-3-naphthalen-1-ylpropan-2-ol?
The InChIKey is HXTBMLWYQWLUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO/c19-15-8-9-16(20-12-15)11-17(21)10-14-6-3-5-13-4-1-2-7-18(13)14/h1-9,12,17,21H,10-11H2.
What are the key properties of 1-(5-bromo-2-pyridinyl)-3-naphthalen-1-ylpropan-2-ol?
1-(5-bromo-2-pyridinyl)-3-naphthalen-1-ylpropan-2-ol has a molecular weight of 342.24 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-3-naphthalen-1-ylpropan-2-ol is sourced from PubChem (CID 105126282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).