2-[6-amino-4-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

C13H16F3N3O — CID 102719154

IUPAC2-[6-amino-4-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
SMILESNc1cc(C(F)(F)F)cc(N2CC3CCC(O)C3C2)n1
InChIInChI=1S/C13H16F3N3O/c14-13(15,16)8-3-11(17)18-12(4-8)19-5-7-1-2-10(20)9(7)6-19/h3-4,7,9-10,20H,1-2,5-6H2,(H2,17,18)
InChIKeyJBVATAMAIVVLSL-UHFFFAOYSA-N
MW287.29 g/mol
LogP1.89
Rot. Bonds1

About 2-[6-amino-4-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol

2-[6-amino-4-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol (PubChem CID 102719154) has the molecular formula C13H16F3N3O and a molecular weight of 287.29 g/mol. Its IUPAC name is 2-[6-amino-4-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol.

Molecular Properties

Compound Name2-[6-amino-4-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
PubChem CID102719154
Molecular FormulaC13H16F3N3O
Molecular Weight287.29 g/mol
Exact Mass287.12
IUPAC Name2-[6-amino-4-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
SMILESNc1cc(C(F)(F)F)cc(N2CC3CCC(O)C3C2)n1
InChIInChI=1S/C13H16F3N3O/c14-13(15,16)8-3-11(17)18-12(4-8)19-5-7-1-2-10(20)9(7)6-19/h3-4,7,9-10,20H,1-2,5-6H2,(H2,17,18)
InChIKeyJBVATAMAIVVLSL-UHFFFAOYSA-N
XLogP1.89
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-4-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The IUPAC name of 2-[6-amino-4-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol (CID 102719154) is 2-[6-amino-4-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol.
What is the SMILES notation for 2-[6-amino-4-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The canonical SMILES for 2-[6-amino-4-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol is Nc1cc(C(F)(F)F)cc(N2CC3CCC(O)C3C2)n1.
What is the InChIKey of 2-[6-amino-4-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
The InChIKey is JBVATAMAIVVLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O/c14-13(15,16)8-3-11(17)18-12(4-8)19-5-7-1-2-10(20)9(7)6-19/h3-4,7,9-10,20H,1-2,5-6H2,(H2,17,18).
What are the key properties of 2-[6-amino-4-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol?
2-[6-amino-4-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol has a molecular weight of 287.29 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-4-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol is sourced from PubChem (CID 102719154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).