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

C10H11F3N2O4 — CID 118820147

IUPAC2-[2-(aminomethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
SMILESCOc1cnc(CN)c(OC(F)(F)F)c1CC(=O)O
InChIInChI=1S/C10H11F3N2O4/c1-18-7-4-15-6(3-14)9(19-10(11,12)13)5(7)2-8(16)17/h4H,2-3,14H2,1H3,(H,16,17)
InChIKeyWGOIYKUUQOSHGO-UHFFFAOYSA-N
MW280.20 g/mol
LogP1.07
Rot. Bonds5

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

2-[2-(aminomethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid (PubChem CID 118820147) has the molecular formula C10H11F3N2O4 and a molecular weight of 280.20 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[2-(aminomethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
PubChem CID118820147
Molecular FormulaC10H11F3N2O4
Molecular Weight280.20 g/mol
Exact Mass280.07
IUPAC Name2-[2-(aminomethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
SMILESCOc1cnc(CN)c(OC(F)(F)F)c1CC(=O)O
InChIInChI=1S/C10H11F3N2O4/c1-18-7-4-15-6(3-14)9(19-10(11,12)13)5(7)2-8(16)17/h4H,2-3,14H2,1H3,(H,16,17)
InChIKeyWGOIYKUUQOSHGO-UHFFFAOYSA-N
XLogP1.07
TPSA94.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.20
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118848308
2-[2-(aminomethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile
CID 118803257
methyl 2-[2-(chloromethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134668336
[2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)-3-pyridinyl]methanol
CID 118820192
2-[4-iodo-5-methoxy-2-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134680637
2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)pyridin-3-amine
CID 133086232
[4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118825721
2-[3-(aminomethyl)-5-hydroxy-4-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134680395
2-[2-(aminomethyl)-5-(difluoromethyl)-3-methoxy-4-pyridinyl]acetic acid
CID 118848134
2-[5-amino-2-(fluoromethyl)-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 133087425
ethyl 2-[6-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134660470
2-[3-(aminomethyl)-2-(difluoromethyl)-5-methoxy-4-pyridinyl]acetic acid
CID 133085233

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid?
The IUPAC name of 2-[2-(aminomethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid (CID 118820147) is 2-[2-(aminomethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid.
What is the SMILES notation for 2-[2-(aminomethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid?
The canonical SMILES for 2-[2-(aminomethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid is COc1cnc(CN)c(OC(F)(F)F)c1CC(=O)O.
What is the InChIKey of 2-[2-(aminomethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid?
The InChIKey is WGOIYKUUQOSHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O4/c1-18-7-4-15-6(3-14)9(19-10(11,12)13)5(7)2-8(16)17/h4H,2-3,14H2,1H3,(H,16,17).
What are the key properties of 2-[2-(aminomethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid?
2-[2-(aminomethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid has a molecular weight of 280.20 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid is sourced from PubChem (CID 118820147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).