[2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)-3-pyridinyl]methanol

C9H11F3N2O3 — CID 118820192

IUPAC[2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)-3-pyridinyl]methanol
SMILESCOc1cnc(CN)c(CO)c1OC(F)(F)F
InChIInChI=1S/C9H11F3N2O3/c1-16-7-3-14-6(2-13)5(4-15)8(7)17-9(10,11)12/h3,15H,2,4,13H2,1H3
InChIKeyJZINLAKVHJZXLY-UHFFFAOYSA-N
MW252.19 g/mol
LogP0.94
Rot. Bonds4

About [2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)-3-pyridinyl]methanol

[2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)-3-pyridinyl]methanol (PubChem CID 118820192) has the molecular formula C9H11F3N2O3 and a molecular weight of 252.19 g/mol. Its IUPAC name is [2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)-3-pyridinyl]methanol
PubChem CID118820192
Molecular FormulaC9H11F3N2O3
Molecular Weight252.19 g/mol
Exact Mass252.07
IUPAC Name[2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)-3-pyridinyl]methanol
SMILESCOc1cnc(CN)c(CO)c1OC(F)(F)F
InChIInChI=1S/C9H11F3N2O3/c1-16-7-3-14-6(2-13)5(4-15)8(7)17-9(10,11)12/h3,15H,2,4,13H2,1H3
InChIKeyJZINLAKVHJZXLY-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

[3-iodo-5-methoxy-4-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134666948
2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)pyridin-3-amine
CID 133086232
2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118848308
2-[2-(aminomethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile
CID 118803257
[5-methoxy-4-(trifluoromethoxy)-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 134662772
2-[2-(aminomethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 118820147
2-(aminomethyl)-4-(hydroxymethyl)-5-(trifluoromethoxy)pyridin-3-ol
CID 118825651
[4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118825721
[4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118824029
[4-iodo-3-methoxy-5-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134666294
[2-(aminomethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)-4-pyridinyl]methanol
CID 118825588
[4-(aminomethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134672695

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)-3-pyridinyl]methanol?
The IUPAC name of [2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)-3-pyridinyl]methanol (CID 118820192) is [2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)-3-pyridinyl]methanol.
What is the SMILES notation for [2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)-3-pyridinyl]methanol?
The canonical SMILES for [2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)-3-pyridinyl]methanol is COc1cnc(CN)c(CO)c1OC(F)(F)F.
What is the InChIKey of [2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)-3-pyridinyl]methanol?
The InChIKey is JZINLAKVHJZXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O3/c1-16-7-3-14-6(2-13)5(4-15)8(7)17-9(10,11)12/h3,15H,2,4,13H2,1H3.
What are the key properties of [2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)-3-pyridinyl]methanol?
[2-(aminomethyl)-5-methoxy-4-(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 [2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)-3-pyridinyl]methanol is sourced from PubChem (CID 118820192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).