2-(3-amino-2-methoxy-4-pyridinyl)-3-cyclobutyl-1,1,1-trifluoropropan-2-ol

C13H17F3N2O2 — CID 22948774

IUPAC2-(3-amino-2-methoxy-4-pyridinyl)-3-cyclobutyl-1,1,1-trifluoropropan-2-ol
SMILESCOc1nccc(C(O)(CC2CCC2)C(F)(F)F)c1N
InChIInChI=1S/C13H17F3N2O2/c1-20-11-10(17)9(5-6-18-11)12(19,13(14,15)16)7-8-3-2-4-8/h5-6,8,19H,2-4,7,17H2,1H3
InChIKeyOKTDVJIINSZKQI-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.61
Rot. Bonds4

About 2-(3-amino-2-methoxy-4-pyridinyl)-3-cyclobutyl-1,1,1-trifluoropropan-2-ol

2-(3-amino-2-methoxy-4-pyridinyl)-3-cyclobutyl-1,1,1-trifluoropropan-2-ol (PubChem CID 22948774) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.28 g/mol. Its IUPAC name is 2-(3-amino-2-methoxy-4-pyridinyl)-3-cyclobutyl-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-(3-amino-2-methoxy-4-pyridinyl)-3-cyclobutyl-1,1,1-trifluoropropan-2-ol
PubChem CID22948774
Molecular FormulaC13H17F3N2O2
Molecular Weight290.28 g/mol
Exact Mass290.12
IUPAC Name2-(3-amino-2-methoxy-4-pyridinyl)-3-cyclobutyl-1,1,1-trifluoropropan-2-ol
SMILESCOc1nccc(C(O)(CC2CCC2)C(F)(F)F)c1N
InChIInChI=1S/C13H17F3N2O2/c1-20-11-10(17)9(5-6-18-11)12(19,13(14,15)16)7-8-3-2-4-8/h5-6,8,19H,2-4,7,17H2,1H3
InChIKeyOKTDVJIINSZKQI-UHFFFAOYSA-N
XLogP2.61
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-methoxy-4-pyridinyl)-3-cyclobutyl-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-(3-amino-2-methoxy-4-pyridinyl)-3-cyclobutyl-1,1,1-trifluoropropan-2-ol (CID 22948774) is 2-(3-amino-2-methoxy-4-pyridinyl)-3-cyclobutyl-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-(3-amino-2-methoxy-4-pyridinyl)-3-cyclobutyl-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-(3-amino-2-methoxy-4-pyridinyl)-3-cyclobutyl-1,1,1-trifluoropropan-2-ol is COc1nccc(C(O)(CC2CCC2)C(F)(F)F)c1N.
What is the InChIKey of 2-(3-amino-2-methoxy-4-pyridinyl)-3-cyclobutyl-1,1,1-trifluoropropan-2-ol?
The InChIKey is OKTDVJIINSZKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-20-11-10(17)9(5-6-18-11)12(19,13(14,15)16)7-8-3-2-4-8/h5-6,8,19H,2-4,7,17H2,1H3.
What are the key properties of 2-(3-amino-2-methoxy-4-pyridinyl)-3-cyclobutyl-1,1,1-trifluoropropan-2-ol?
2-(3-amino-2-methoxy-4-pyridinyl)-3-cyclobutyl-1,1,1-trifluoropropan-2-ol has a molecular weight of 290.28 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-methoxy-4-pyridinyl)-3-cyclobutyl-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 22948774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).