[4-(aminomethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]methanol

C9H11F3N2O3 — CID 134681809

IUPAC[4-(aminomethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]methanol
SMILESCOc1cc(CN)c(CO)c(OC(F)(F)F)n1
InChIInChI=1S/C9H11F3N2O3/c1-16-7-2-5(3-13)6(4-15)8(14-7)17-9(10,11)12/h2,15H,3-4,13H2,1H3
InChIKeyUQFZBUUYAWLPGS-UHFFFAOYSA-N
MW252.19 g/mol
LogP0.94
Rot. Bonds4

About [4-(aminomethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]methanol

[4-(aminomethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]methanol (PubChem CID 134681809) has the molecular formula C9H11F3N2O3 and a molecular weight of 252.19 g/mol. Its IUPAC name is [4-(aminomethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(aminomethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]methanol
PubChem CID134681809
Molecular FormulaC9H11F3N2O3
Molecular Weight252.19 g/mol
Exact Mass252.07
IUPAC Name[4-(aminomethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]methanol
SMILESCOc1cc(CN)c(CO)c(OC(F)(F)F)n1
InChIInChI=1S/C9H11F3N2O3/c1-16-7-2-5(3-13)6(4-15)8(14-7)17-9(10,11)12/h2,15H,3-4,13H2,1H3
InChIKeyUQFZBUUYAWLPGS-UHFFFAOYSA-N
XLogP0.94
TPSA77.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.19
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]methanol?
The IUPAC name of [4-(aminomethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]methanol (CID 134681809) is [4-(aminomethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]methanol.
What is the SMILES notation for [4-(aminomethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]methanol?
The canonical SMILES for [4-(aminomethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]methanol is COc1cc(CN)c(CO)c(OC(F)(F)F)n1.
What is the InChIKey of [4-(aminomethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]methanol?
The InChIKey is UQFZBUUYAWLPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O3/c1-16-7-2-5(3-13)6(4-15)8(14-7)17-9(10,11)12/h2,15H,3-4,13H2,1H3.
What are the key properties of [4-(aminomethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]methanol?
[4-(aminomethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]methanol has a molecular weight of 252.19 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]methanol is sourced from PubChem (CID 134681809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).