5-[[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]amino]pyrazine-2-carboxylic acid

C15H14F3N3O4 — CID 122053273

IUPAC5-[[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]amino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NCC(O)COc2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C15H14F3N3O4/c16-15(17,18)9-2-1-3-11(4-9)25-8-10(22)5-20-13-7-19-12(6-21-13)14(23)24/h1-4,6-7,10,22H,5,8H2,(H,20,21)(H,23,24)
InChIKeyOIUJUNAWGDVNPE-UHFFFAOYSA-N
MW357.29 g/mol
LogP2.05
Rot. Bonds7

About 5-[[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]amino]pyrazine-2-carboxylic acid

5-[[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]amino]pyrazine-2-carboxylic acid (PubChem CID 122053273) has the molecular formula C15H14F3N3O4 and a molecular weight of 357.29 g/mol. Its IUPAC name is 5-[[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]amino]pyrazine-2-carboxylic acid
PubChem CID122053273
Molecular FormulaC15H14F3N3O4
Molecular Weight357.29 g/mol
Exact Mass357.09
IUPAC Name5-[[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]amino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NCC(O)COc2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C15H14F3N3O4/c16-15(17,18)9-2-1-3-11(4-9)25-8-10(22)5-20-13-7-19-12(6-21-13)14(23)24/h1-4,6-7,10,22H,5,8H2,(H,20,21)(H,23,24)
InChIKeyOIUJUNAWGDVNPE-UHFFFAOYSA-N
XLogP2.05
TPSA104.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(pyridin-2-ylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
CID 133274208
N-[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide
CID 52503690
1-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]cyclopropane-1-carboxamide
CID 119751647
2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpropanamide;hydrochloride
CID 119304963
1-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-(2-phenylethyl)urea
CID 22282753
N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]furan-2-carboxamide
CID 47932845
1-(quinazolin-4-ylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
CID 47982802
1-(propylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
CID 43166208
5-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxylic acid
CID 71150981
3-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-phenylpropanamide
CID 119950634
5-[2-(3-methylphenoxy)propylamino]pyrazine-2-carboxylic acid
CID 122048078
3-ethoxy-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide
CID 47932930

Frequently Asked Questions

What is the IUPAC name of 5-[[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]amino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]amino]pyrazine-2-carboxylic acid (CID 122053273) is 5-[[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]amino]pyrazine-2-carboxylic acid is O=C(O)c1cnc(NCC(O)COc2cccc(C(F)(F)F)c2)cn1.
What is the InChIKey of 5-[[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]amino]pyrazine-2-carboxylic acid?
The InChIKey is OIUJUNAWGDVNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O4/c16-15(17,18)9-2-1-3-11(4-9)25-8-10(22)5-20-13-7-19-12(6-21-13)14(23)24/h1-4,6-7,10,22H,5,8H2,(H,20,21)(H,23,24).
What are the key properties of 5-[[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]amino]pyrazine-2-carboxylic acid?
5-[[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]amino]pyrazine-2-carboxylic acid has a molecular weight of 357.29 g/mol, XLogP of 2.05, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122053273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).