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

C9H11F3N2O3 — CID 134680161

IUPAC[5-(aminomethyl)-2-methoxy-6-(trifluoromethoxy)-3-pyridinyl]methanol
SMILESCOc1nc(OC(F)(F)F)c(CN)cc1CO
InChIInChI=1S/C9H11F3N2O3/c1-16-7-6(4-15)2-5(3-13)8(14-7)17-9(10,11)12/h2,15H,3-4,13H2,1H3
InChIKeyVZGNKDGOYDHVIX-UHFFFAOYSA-N
MW252.19 g/mol
LogP0.94
Rot. Bonds4

About [5-(aminomethyl)-2-methoxy-6-(trifluoromethoxy)-3-pyridinyl]methanol

[5-(aminomethyl)-2-methoxy-6-(trifluoromethoxy)-3-pyridinyl]methanol (PubChem CID 134680161) has the molecular formula C9H11F3N2O3 and a molecular weight of 252.19 g/mol. Its IUPAC name is [5-(aminomethyl)-2-methoxy-6-(trifluoromethoxy)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-(aminomethyl)-2-methoxy-6-(trifluoromethoxy)-3-pyridinyl]methanol
PubChem CID134680161
Molecular FormulaC9H11F3N2O3
Molecular Weight252.19 g/mol
Exact Mass252.07
IUPAC Name[5-(aminomethyl)-2-methoxy-6-(trifluoromethoxy)-3-pyridinyl]methanol
SMILESCOc1nc(OC(F)(F)F)c(CN)cc1CO
InChIInChI=1S/C9H11F3N2O3/c1-16-7-6(4-15)2-5(3-13)8(14-7)17-9(10,11)12/h2,15H,3-4,13H2,1H3
InChIKeyVZGNKDGOYDHVIX-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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Related Compounds

2-[5-(aminomethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134670121
5-(aminomethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134678140
ethyl 5-(aminomethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134660436
[4-(aminomethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134681809
[3-amino-6-(aminomethyl)-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 133085846
[2-methoxy-3-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]methanol
CID 134662303
methyl 5-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134683021
methyl 2-[5-(aminomethyl)-3-methoxy-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134665618
[5-iodo-6-methyl-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 130112945
[4-(aminomethyl)-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118812946
[6-(chloromethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134681943
4-(hydroxymethyl)-6-methoxy-2-(trifluoromethoxy)pyridin-3-ol
CID 134665683

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)-2-methoxy-6-(trifluoromethoxy)-3-pyridinyl]methanol?
The IUPAC name of [5-(aminomethyl)-2-methoxy-6-(trifluoromethoxy)-3-pyridinyl]methanol (CID 134680161) is [5-(aminomethyl)-2-methoxy-6-(trifluoromethoxy)-3-pyridinyl]methanol.
What is the SMILES notation for [5-(aminomethyl)-2-methoxy-6-(trifluoromethoxy)-3-pyridinyl]methanol?
The canonical SMILES for [5-(aminomethyl)-2-methoxy-6-(trifluoromethoxy)-3-pyridinyl]methanol is COc1nc(OC(F)(F)F)c(CN)cc1CO.
What is the InChIKey of [5-(aminomethyl)-2-methoxy-6-(trifluoromethoxy)-3-pyridinyl]methanol?
The InChIKey is VZGNKDGOYDHVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O3/c1-16-7-6(4-15)2-5(3-13)8(14-7)17-9(10,11)12/h2,15H,3-4,13H2,1H3.
What are the key properties of [5-(aminomethyl)-2-methoxy-6-(trifluoromethoxy)-3-pyridinyl]methanol?
[5-(aminomethyl)-2-methoxy-6-(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 [5-(aminomethyl)-2-methoxy-6-(trifluoromethoxy)-3-pyridinyl]methanol is sourced from PubChem (CID 134680161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).