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

C9H11F3N2O3 — CID 118812946

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

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

[4-(aminomethyl)-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanol (PubChem CID 118812946) has the molecular formula C9H11F3N2O3 and a molecular weight of 252.19 g/mol. Its IUPAC name is [4-(aminomethyl)-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(aminomethyl)-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanol
PubChem CID118812946
Molecular FormulaC9H11F3N2O3
Molecular Weight252.19 g/mol
Exact Mass252.07
IUPAC Name[4-(aminomethyl)-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanol
SMILESCOc1cc(CN)c(OC(F)(F)F)c(CO)n1
InChIInChI=1S/C9H11F3N2O3/c1-16-7-2-5(3-13)8(6(4-15)14-7)17-9(10,11)12/h2,15H,3-4,13H2,1H3
InChIKeyITXQIGSAHVFMMF-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(aminomethyl)-6-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 134660439
[4-(aminomethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134681809
[4-(aminomethyl)-3-methyl-6-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118807357
2-(aminomethyl)-6-methoxy-3-(trifluoromethoxy)pyridin-4-amine
CID 118824129
[2-iodo-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 118807180
[6-(aminomethyl)-3-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134666113
[2-(difluoromethyl)-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 134678172
[5-(aminomethyl)-2-methoxy-6-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134680161
4-(hydroxymethyl)-6-methoxy-2-(trifluoromethoxy)pyridin-3-ol
CID 134665683
2-[2-(chloromethyl)-6-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile
CID 118821184
4-(fluoromethyl)-6-methoxy-2-methyl-3-(trifluoromethoxy)pyridine
CID 118818475
[4-amino-6-(fluoromethyl)-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118811822

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanol?
The IUPAC name of [4-(aminomethyl)-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanol (CID 118812946) is [4-(aminomethyl)-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanol.
What is the SMILES notation for [4-(aminomethyl)-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanol?
The canonical SMILES for [4-(aminomethyl)-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanol is COc1cc(CN)c(OC(F)(F)F)c(CO)n1.
What is the InChIKey of [4-(aminomethyl)-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanol?
The InChIKey is ITXQIGSAHVFMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O3/c1-16-7-2-5(3-13)8(6(4-15)14-7)17-9(10,11)12/h2,15H,3-4,13H2,1H3.
What are the key properties of [4-(aminomethyl)-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanol?
[4-(aminomethyl)-6-methoxy-3-(trifluoromethoxy)-2-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-3-(trifluoromethoxy)-2-pyridinyl]methanol is sourced from PubChem (CID 118812946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).