2-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanol

C16H16BrNO — CID 104800243

IUPAC2-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanol
SMILESOC(Cc1cncc(Br)c1)C1Cc2ccccc2C1
InChIInChI=1S/C16H16BrNO/c17-15-5-11(9-18-10-15)6-16(19)14-7-12-3-1-2-4-13(12)8-14/h1-5,9-10,14,16,19H,6-8H2
InChIKeyKGRPDLIKRHOXMT-UHFFFAOYSA-N
MW318.21 g/mol
LogP3.16
Rot. Bonds3

About 2-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanol

2-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanol (PubChem CID 104800243) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanol
PubChem CID104800243
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC Name2-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanol
SMILESOC(Cc1cncc(Br)c1)C1Cc2ccccc2C1
InChIInChI=1S/C16H16BrNO/c17-15-5-11(9-18-10-15)6-16(19)14-7-12-3-1-2-4-13(12)8-14/h1-5,9-10,14,16,19H,6-8H2
InChIKeyKGRPDLIKRHOXMT-UHFFFAOYSA-N
XLogP3.16
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-bromo-3-pyridinyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanamine
CID 104802640
2-(5-bromo-3-pyridinyl)-1-cycloheptylethanol
CID 104800221
2-(5-bromo-3-pyridinyl)-1-(4-propan-2-ylcyclohexyl)ethanol
CID 104800225
2-(5-bromo-3-pyridinyl)-1-piperidin-4-ylethanol
CID 104802357
2-(5-bromo-3-pyridinyl)-1-(2-methylcyclopropyl)ethanol
CID 104800252
1-(2,3-dihydro-1H-inden-2-yl)-2-(3,5-dimethylphenyl)ethanol
CID 65410774
1-(2-bromophenyl)-3-(5-bromo-3-pyridinyl)propan-2-ol
CID 104800043
2-(5-bromo-3-pyridinyl)-1-pyridin-2-ylethanol
CID 104799817
2-[(5-bromo-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-ol
CID 104810033
2-(2-chlorophenyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanol
CID 65411952
2-(5-bromo-3-pyridinyl)-1-(3-methyloxolan-2-yl)ethanol
CID 115833496
2-(5-bromo-3-pyridinyl)-1-cyclopentyl-N-methylethanamine
CID 104801480

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanol?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanol (CID 104800243) is 2-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanol.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanol?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanol is OC(Cc1cncc(Br)c1)C1Cc2ccccc2C1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanol?
The InChIKey is KGRPDLIKRHOXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c17-15-5-11(9-18-10-15)6-16(19)14-7-12-3-1-2-4-13(12)8-14/h1-5,9-10,14,16,19H,6-8H2.
What are the key properties of 2-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanol?
2-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanol has a molecular weight of 318.21 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1H-inden-2-yl)ethanol is sourced from PubChem (CID 104800243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).