2-(2-bromophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol

C16H16BrNO — CID 79745438

IUPAC2-(2-bromophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol
SMILESOC(Cc1ccccc1Br)C1CCc2cccnc21
InChIInChI=1S/C16H16BrNO/c17-14-6-2-1-4-12(14)10-15(19)13-8-7-11-5-3-9-18-16(11)13/h1-6,9,13,15,19H,7-8,10H2
InChIKeyLFZGNMNBVLFHEL-UHFFFAOYSA-N
MW318.21 g/mol
LogP3.48
Rot. Bonds3

About 2-(2-bromophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol

2-(2-bromophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol (PubChem CID 79745438) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol
PubChem CID79745438
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC Name2-(2-bromophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol
SMILESOC(Cc1ccccc1Br)C1CCc2cccnc21
InChIInChI=1S/C16H16BrNO/c17-14-6-2-1-4-12(14)10-15(19)13-8-7-11-5-3-9-18-16(11)13/h1-6,9,13,15,19H,7-8,10H2
InChIKeyLFZGNMNBVLFHEL-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-difluorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol
CID 115819425
2-(4-bromophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol
CID 79746206
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-pyridin-4-ylethanol
CID 79745519
2-(3,4-difluorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol
CID 115819396
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-phenylbutan-1-ol
CID 105112552
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2,2-difluoroethanol
CID 112575643
(4-bromo-3-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanol
CID 81447185
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105112460
6-bicyclo[3.1.0]hexanyl(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanol
CID 115819421
1-(2-bromophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 79747890
2-(2-bicyclo[2.2.1]heptanyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol
CID 115819525
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(2,6-dimethoxyphenyl)methanol
CID 115819406

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol?
The IUPAC name of 2-(2-bromophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol (CID 79745438) is 2-(2-bromophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol.
What is the SMILES notation for 2-(2-bromophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol?
The canonical SMILES for 2-(2-bromophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol is OC(Cc1ccccc1Br)C1CCc2cccnc21.
What is the InChIKey of 2-(2-bromophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol?
The InChIKey is LFZGNMNBVLFHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c17-14-6-2-1-4-12(14)10-15(19)13-8-7-11-5-3-9-18-16(11)13/h1-6,9,13,15,19H,7-8,10H2.
What are the key properties of 2-(2-bromophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol?
2-(2-bromophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol has a molecular weight of 318.21 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol is sourced from PubChem (CID 79745438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).