6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3,4,5-trifluorophenyl)methanol

C15H12F3NO — CID 79739398

IUPAC6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3,4,5-trifluorophenyl)methanol
SMILESOC(c1cc(F)c(F)c(F)c1)C1CCc2cccnc21
InChIInChI=1S/C15H12F3NO/c16-11-6-9(7-12(17)13(11)18)15(20)10-4-3-8-2-1-5-19-14(8)10/h1-2,5-7,10,15,20H,3-4H2
InChIKeyHLJRCSTXCPRVDS-UHFFFAOYSA-N
MW279.26 g/mol
LogP3.26
Rot. Bonds2

About 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3,4,5-trifluorophenyl)methanol

6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3,4,5-trifluorophenyl)methanol (PubChem CID 79739398) has the molecular formula C15H12F3NO and a molecular weight of 279.26 g/mol. Its IUPAC name is 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3,4,5-trifluorophenyl)methanol.

Molecular Properties

Compound Name6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3,4,5-trifluorophenyl)methanol
PubChem CID79739398
Molecular FormulaC15H12F3NO
Molecular Weight279.26 g/mol
Exact Mass279.09
IUPAC Name6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3,4,5-trifluorophenyl)methanol
SMILESOC(c1cc(F)c(F)c(F)c1)C1CCc2cccnc21
InChIInChI=1S/C15H12F3NO/c16-11-6-9(7-12(17)13(11)18)15(20)10-4-3-8-2-1-5-19-14(8)10/h1-2,5-7,10,15,20H,3-4H2
InChIKeyHLJRCSTXCPRVDS-UHFFFAOYSA-N
XLogP3.26
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
CID 79733088
(2,6-difluorophenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79739199
2-(2,3-difluorophenyl)-1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanol
CID 115819425
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-2,2-difluoroethanol
CID 112575643
(3-fluoro-4-methoxyphenyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79723755
(4-bromo-3-methylphenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanol
CID 81447185
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(5-methylfuran-2-yl)methanol
CID 79740317
(5-fluoro-3-pyridinyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 105111410
phenyl(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 79739489
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(4-ethoxyphenyl)methanol
CID 79739385
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3-methylsulfonylphenyl)methanol
CID 115819532
(4-bromo-3-fluorophenyl)-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)methanamine
CID 105009945

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3,4,5-trifluorophenyl)methanol?
The IUPAC name of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3,4,5-trifluorophenyl)methanol (CID 79739398) is 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3,4,5-trifluorophenyl)methanol.
What is the SMILES notation for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3,4,5-trifluorophenyl)methanol?
The canonical SMILES for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3,4,5-trifluorophenyl)methanol is OC(c1cc(F)c(F)c(F)c1)C1CCc2cccnc21.
What is the InChIKey of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3,4,5-trifluorophenyl)methanol?
The InChIKey is HLJRCSTXCPRVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO/c16-11-6-9(7-12(17)13(11)18)15(20)10-4-3-8-2-1-5-19-14(8)10/h1-2,5-7,10,15,20H,3-4H2.
What are the key properties of 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3,4,5-trifluorophenyl)methanol?
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3,4,5-trifluorophenyl)methanol has a molecular weight of 279.26 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-(3,4,5-trifluorophenyl)methanol is sourced from PubChem (CID 79739398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).