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

C9H11F3N2O3 — CID 134664983

IUPAC[5-(aminomethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol
SMILESCOc1c(OC(F)(F)F)ncc(CN)c1CO
InChIInChI=1S/C9H11F3N2O3/c1-16-7-6(4-15)5(2-13)3-14-8(7)17-9(10,11)12/h3,15H,2,4,13H2,1H3
InChIKeyVWIKBVYPQOAUPR-UHFFFAOYSA-N
MW252.19 g/mol
LogP0.94
Rot. Bonds4

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

[5-(aminomethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol (PubChem CID 134664983) has the molecular formula C9H11F3N2O3 and a molecular weight of 252.19 g/mol. Its IUPAC name is [5-(aminomethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[5-(aminomethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol
PubChem CID134664983
Molecular FormulaC9H11F3N2O3
Molecular Weight252.19 g/mol
Exact Mass252.07
IUPAC Name[5-(aminomethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol
SMILESCOc1c(OC(F)(F)F)ncc(CN)c1CO
InChIInChI=1S/C9H11F3N2O3/c1-16-7-6(4-15)5(2-13)3-14-8(7)17-9(10,11)12/h3,15H,2,4,13H2,1H3
InChIKeyVWIKBVYPQOAUPR-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

[5-(bromomethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134661940
2-[4-(aminomethyl)-5-methoxy-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118807259
2-[4-(chloromethyl)-5-methoxy-6-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134682584
[4-(aminomethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134681809
[5-(aminomethyl)-2-methyl-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134672505
[5-amino-4-(aminomethyl)-6-(trifluoromethoxy)-3-pyridinyl]methanol
CID 133085828
4-(bromomethyl)-5-methoxy-6-(trifluoromethoxy)pyridin-3-ol
CID 130111742
[5-iodo-6-methoxy-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134660114
ethyl 2-[5-iodo-4-methoxy-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134659124
[5-bromo-4-chloro-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 131607030
[5-(aminomethyl)-3-methoxy-2-methylsulfonyl-4-pyridinyl]methanol
CID 68963442
4-(chloromethyl)-5-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134669953

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol?
The IUPAC name of [5-(aminomethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol (CID 134664983) is [5-(aminomethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol.
What is the SMILES notation for [5-(aminomethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol?
The canonical SMILES for [5-(aminomethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol is COc1c(OC(F)(F)F)ncc(CN)c1CO.
What is the InChIKey of [5-(aminomethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol?
The InChIKey is VWIKBVYPQOAUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O3/c1-16-7-6(4-15)5(2-13)3-14-8(7)17-9(10,11)12/h3,15H,2,4,13H2,1H3.
What are the key properties of [5-(aminomethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol?
[5-(aminomethyl)-3-methoxy-2-(trifluoromethoxy)-4-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)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol is sourced from PubChem (CID 134664983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).