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

C9H9F3N2O4 — CID 134680395

IUPAC2-[3-(aminomethyl)-5-hydroxy-4-(trifluoromethoxy)-2-pyridinyl]acetic acid
SMILESNCc1c(CC(=O)O)ncc(O)c1OC(F)(F)F
InChIInChI=1S/C9H9F3N2O4/c10-9(11,12)18-8-4(2-13)5(1-7(16)17)14-3-6(8)15/h3,15H,1-2,13H2,(H,16,17)
InChIKeyNQSXFKJBTXWNFK-UHFFFAOYSA-N
MW266.17 g/mol
LogP0.77
Rot. Bonds4

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

2-[3-(aminomethyl)-5-hydroxy-4-(trifluoromethoxy)-2-pyridinyl]acetic acid (PubChem CID 134680395) has the molecular formula C9H9F3N2O4 and a molecular weight of 266.17 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-5-hydroxy-4-(trifluoromethoxy)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-(aminomethyl)-5-hydroxy-4-(trifluoromethoxy)-2-pyridinyl]acetic acid
PubChem CID134680395
Molecular FormulaC9H9F3N2O4
Molecular Weight266.17 g/mol
Exact Mass266.05
IUPAC Name2-[3-(aminomethyl)-5-hydroxy-4-(trifluoromethoxy)-2-pyridinyl]acetic acid
SMILESNCc1c(CC(=O)O)ncc(O)c1OC(F)(F)F
InChIInChI=1S/C9H9F3N2O4/c10-9(11,12)18-8-4(2-13)5(1-7(16)17)14-3-6(8)15/h3,15H,1-2,13H2,(H,16,17)
InChIKeyNQSXFKJBTXWNFK-UHFFFAOYSA-N
XLogP0.77
TPSA105.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.17
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(fluoromethyl)-5-hydroxy-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118848779
2-[4-(bromomethyl)-5-hydroxy-3-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134660623
2-[5-hydroxy-2-methyl-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134680979
2-[5-hydroxy-3-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134659981
2-[2-(fluoromethyl)-5-hydroxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 134681335
ethyl 3-(aminomethyl)-5-hydroxy-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 134665521
2-[5-amino-2-(fluoromethyl)-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 133087425
2-[2-(aminomethyl)-5-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 118820147
ethyl 2-[3-(aminomethyl)-5-iodo-4-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134666934
6-amino-4-(aminomethyl)-5-(trifluoromethoxy)pyridin-3-ol
CID 119001508
4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridin-3-ol
CID 118801499
ethyl 2-[3-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134659427

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-5-hydroxy-4-(trifluoromethoxy)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[3-(aminomethyl)-5-hydroxy-4-(trifluoromethoxy)-2-pyridinyl]acetic acid (CID 134680395) is 2-[3-(aminomethyl)-5-hydroxy-4-(trifluoromethoxy)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-(aminomethyl)-5-hydroxy-4-(trifluoromethoxy)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-(aminomethyl)-5-hydroxy-4-(trifluoromethoxy)-2-pyridinyl]acetic acid is NCc1c(CC(=O)O)ncc(O)c1OC(F)(F)F.
What is the InChIKey of 2-[3-(aminomethyl)-5-hydroxy-4-(trifluoromethoxy)-2-pyridinyl]acetic acid?
The InChIKey is NQSXFKJBTXWNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O4/c10-9(11,12)18-8-4(2-13)5(1-7(16)17)14-3-6(8)15/h3,15H,1-2,13H2,(H,16,17).
What are the key properties of 2-[3-(aminomethyl)-5-hydroxy-4-(trifluoromethoxy)-2-pyridinyl]acetic acid?
2-[3-(aminomethyl)-5-hydroxy-4-(trifluoromethoxy)-2-pyridinyl]acetic acid has a molecular weight of 266.17 g/mol, XLogP of 0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-5-hydroxy-4-(trifluoromethoxy)-2-pyridinyl]acetic acid is sourced from PubChem (CID 134680395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).