2-(3,4-difluorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol

C16H15F2NO — CID 115819396

IUPAC2-(3,4-difluorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol
SMILESOC(Cc1ccc(F)c(F)c1)C1CCc2cccnc21
InChIInChI=1S/C16H15F2NO/c17-13-6-3-10(8-14(13)18)9-15(20)12-5-4-11-2-1-7-19-16(11)12/h1-3,6-8,12,15,20H,4-5,9H2
InChIKeyIOJGGRYYZYRBGR-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.99
Rot. Bonds3

About 2-(3,4-difluorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol

2-(3,4-difluorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol (PubChem CID 115819396) has the molecular formula C16H15F2NO and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol
PubChem CID115819396
Molecular FormulaC16H15F2NO
Molecular Weight275.30 g/mol
Exact Mass275.11
IUPAC Name2-(3,4-difluorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol
SMILESOC(Cc1ccc(F)c(F)c1)C1CCc2cccnc21
InChIInChI=1S/C16H15F2NO/c17-13-6-3-10(8-14(13)18)9-15(20)12-5-4-11-2-1-7-19-16(11)12/h1-3,6-8,12,15,20H,4-5,9H2
InChIKeyIOJGGRYYZYRBGR-UHFFFAOYSA-N
XLogP2.99
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-(2,3-difluorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol
CID 115819425
2-(2-bromophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol
CID 79745438
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3,4,5-trifluorophenyl)methanol
CID 79739398
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2,2-difluoroethanol
CID 112575643
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-(4-fluorophenyl)ethyl]hydrazine
CID 105198346
2-(4-chlorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylethanamine
CID 79748582
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105112460
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
CID 79733088
(5-chloro-2-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine
CID 114885899

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol?
The IUPAC name of 2-(3,4-difluorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol (CID 115819396) is 2-(3,4-difluorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol.
What is the SMILES notation for 2-(3,4-difluorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol?
The canonical SMILES for 2-(3,4-difluorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol is OC(Cc1ccc(F)c(F)c1)C1CCc2cccnc21.
What is the InChIKey of 2-(3,4-difluorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol?
The InChIKey is IOJGGRYYZYRBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO/c17-13-6-3-10(8-14(13)18)9-15(20)12-5-4-11-2-1-7-19-16(11)12/h1-3,6-8,12,15,20H,4-5,9H2.
What are the key properties of 2-(3,4-difluorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol?
2-(3,4-difluorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol has a molecular weight of 275.30 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol is sourced from PubChem (CID 115819396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).