4-(aminomethyl)-5-(trifluoromethoxy)pyridin-3-ol

C7H7F3N2O2 — CID 118818649

IUPAC4-(aminomethyl)-5-(trifluoromethoxy)pyridin-3-ol
SMILESNCc1c(O)cncc1OC(F)(F)F
InChIInChI=1S/C7H7F3N2O2/c8-7(9,10)14-6-3-12-2-5(13)4(6)1-11/h2-3,13H,1,11H2
InChIKeyOUKCDTTWOMSCDI-UHFFFAOYSA-N
MW208.14 g/mol
LogP1.14
Rot. Bonds2

About 4-(aminomethyl)-5-(trifluoromethoxy)pyridin-3-ol

4-(aminomethyl)-5-(trifluoromethoxy)pyridin-3-ol (PubChem CID 118818649) has the molecular formula C7H7F3N2O2 and a molecular weight of 208.14 g/mol. Its IUPAC name is 4-(aminomethyl)-5-(trifluoromethoxy)pyridin-3-ol.

Molecular Properties

Compound Name4-(aminomethyl)-5-(trifluoromethoxy)pyridin-3-ol
PubChem CID118818649
Molecular FormulaC7H7F3N2O2
Molecular Weight208.14 g/mol
Exact Mass208.05
IUPAC Name4-(aminomethyl)-5-(trifluoromethoxy)pyridin-3-ol
SMILESNCc1c(O)cncc1OC(F)(F)F
InChIInChI=1S/C7H7F3N2O2/c8-7(9,10)14-6-3-12-2-5(13)4(6)1-11/h2-3,13H,1,11H2
InChIKeyOUKCDTTWOMSCDI-UHFFFAOYSA-N
XLogP1.14
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5-(trifluoromethoxy)pyridin-3-ol?
The IUPAC name of 4-(aminomethyl)-5-(trifluoromethoxy)pyridin-3-ol (CID 118818649) is 4-(aminomethyl)-5-(trifluoromethoxy)pyridin-3-ol.
What is the SMILES notation for 4-(aminomethyl)-5-(trifluoromethoxy)pyridin-3-ol?
The canonical SMILES for 4-(aminomethyl)-5-(trifluoromethoxy)pyridin-3-ol is NCc1c(O)cncc1OC(F)(F)F.
What is the InChIKey of 4-(aminomethyl)-5-(trifluoromethoxy)pyridin-3-ol?
The InChIKey is OUKCDTTWOMSCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2/c8-7(9,10)14-6-3-12-2-5(13)4(6)1-11/h2-3,13H,1,11H2.
What are the key properties of 4-(aminomethyl)-5-(trifluoromethoxy)pyridin-3-ol?
4-(aminomethyl)-5-(trifluoromethoxy)pyridin-3-ol has a molecular weight of 208.14 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5-(trifluoromethoxy)pyridin-3-ol is sourced from PubChem (CID 118818649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).