(5S,6R)-5-amino-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-6-ol

C9H9F3N2O — CID 172507061

IUPAC(5S,6R)-5-amino-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-6-ol
SMILESN[C@H]1c2ccc(C(F)(F)F)nc2C[C@H]1O
InChIInChI=1S/C9H9F3N2O/c10-9(11,12)7-2-1-4-5(14-7)3-6(15)8(4)13/h1-2,6,8,15H,3,13H2/t6-,8+/m1/s1
InChIKeyKTNFYEIKDJXJLJ-SVRRBLITSA-N
MW218.18 g/mol
LogP1.02
Rot. Bonds

About (5S,6R)-5-amino-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-6-ol

(5S,6R)-5-amino-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-6-ol (PubChem CID 172507061) has the molecular formula C9H9F3N2O and a molecular weight of 218.18 g/mol. Its IUPAC name is (5S,6R)-5-amino-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-6-ol.

Molecular Properties

Compound Name(5S,6R)-5-amino-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-6-ol
PubChem CID172507061
Molecular FormulaC9H9F3N2O
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC Name(5S,6R)-5-amino-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-6-ol
SMILESN[C@H]1c2ccc(C(F)(F)F)nc2C[C@H]1O
InChIInChI=1S/C9H9F3N2O/c10-9(11,12)7-2-1-4-5(14-7)3-6(15)8(4)13/h1-2,6,8,15H,3,13H2/t6-,8+/m1/s1
InChIKeyKTNFYEIKDJXJLJ-SVRRBLITSA-N
XLogP1.02
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S,6R)-5-amino-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-6-ol?
The IUPAC name of (5S,6R)-5-amino-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-6-ol (CID 172507061) is (5S,6R)-5-amino-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-6-ol.
What is the SMILES notation for (5S,6R)-5-amino-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-6-ol?
The canonical SMILES for (5S,6R)-5-amino-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-6-ol is N[C@H]1c2ccc(C(F)(F)F)nc2C[C@H]1O.
What is the InChIKey of (5S,6R)-5-amino-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-6-ol?
The InChIKey is KTNFYEIKDJXJLJ-SVRRBLITSA-N. The full InChI is InChI=1S/C9H9F3N2O/c10-9(11,12)7-2-1-4-5(14-7)3-6(15)8(4)13/h1-2,6,8,15H,3,13H2/t6-,8+/m1/s1.
What are the key properties of (5S,6R)-5-amino-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-6-ol?
(5S,6R)-5-amino-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-6-ol has a molecular weight of 218.18 g/mol, XLogP of 1.02, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-5-amino-2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-6-ol is sourced from PubChem (CID 172507061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).