2-(6-amino-3-pyridinyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

C8H6F6N2O — CID 11265424

IUPAC2-(6-amino-3-pyridinyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESNc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cn1
InChIInChI=1S/C8H6F6N2O/c9-7(10,11)6(17,8(12,13)14)4-1-2-5(15)16-3-4/h1-3,17H,(H2,15,16)
InChIKeyPGIOEXXIIQRZJE-UHFFFAOYSA-N
MW260.14 g/mol
LogP1.98
Rot. Bonds1

About 2-(6-amino-3-pyridinyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

2-(6-amino-3-pyridinyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 11265424) has the molecular formula C8H6F6N2O and a molecular weight of 260.14 g/mol. Its IUPAC name is 2-(6-amino-3-pyridinyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-(6-amino-3-pyridinyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID11265424
Molecular FormulaC8H6F6N2O
Molecular Weight260.14 g/mol
Exact Mass260.04
IUPAC Name2-(6-amino-3-pyridinyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESNc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cn1
InChIInChI=1S/C8H6F6N2O/c9-7(10,11)6(17,8(12,13)14)4-1-2-5(15)16-3-4/h1-3,17H,(H2,15,16)
InChIKeyPGIOEXXIIQRZJE-UHFFFAOYSA-N
XLogP1.98
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.14
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-3-pyridinyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-(6-amino-3-pyridinyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 11265424) is 2-(6-amino-3-pyridinyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-(6-amino-3-pyridinyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-(6-amino-3-pyridinyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cn1.
What is the InChIKey of 2-(6-amino-3-pyridinyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is PGIOEXXIIQRZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F6N2O/c9-7(10,11)6(17,8(12,13)14)4-1-2-5(15)16-3-4/h1-3,17H,(H2,15,16).
What are the key properties of 2-(6-amino-3-pyridinyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-(6-amino-3-pyridinyl)-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 260.14 g/mol, XLogP of 1.98, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-3-pyridinyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 11265424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).