[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine

C9H11F3N2O2 — CID 67509821

IUPAC[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine
SMILESCOc1cc(CN)cnc1OCC(F)(F)F
InChIInChI=1S/C9H11F3N2O2/c1-15-7-2-6(3-13)4-14-8(7)16-5-9(10,11)12/h2,4H,3,5,13H2,1H3
InChIKeyHOBFZKQRXVVRPM-UHFFFAOYSA-N
MW236.19 g/mol
LogP1.49
Rot. Bonds4

About [5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine

[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine (PubChem CID 67509821) has the molecular formula C9H11F3N2O2 and a molecular weight of 236.19 g/mol. Its IUPAC name is [5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine
PubChem CID67509821
Molecular FormulaC9H11F3N2O2
Molecular Weight236.19 g/mol
Exact Mass236.08
IUPAC Name[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine
SMILESCOc1cc(CN)cnc1OCC(F)(F)F
InChIInChI=1S/C9H11F3N2O2/c1-15-7-2-6(3-13)4-14-8(7)16-5-9(10,11)12/h2,4H,3,5,13H2,1H3
InChIKeyHOBFZKQRXVVRPM-UHFFFAOYSA-N
XLogP1.49
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine?
The IUPAC name of [5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine (CID 67509821) is [5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine.
What is the SMILES notation for [5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine?
The canonical SMILES for [5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine is COc1cc(CN)cnc1OCC(F)(F)F.
What is the InChIKey of [5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine?
The InChIKey is HOBFZKQRXVVRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2/c1-15-7-2-6(3-13)4-14-8(7)16-5-9(10,11)12/h2,4H,3,5,13H2,1H3.
What are the key properties of [5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine?
[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine has a molecular weight of 236.19 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanamine is sourced from PubChem (CID 67509821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).