4-[5-[[4-(trifluoromethoxy)phenyl]methoxy]-3-pyridinyl]morpholine-2-carboxylic acid

C18H17F3N2O5 — CID 175625254

IUPAC4-[5-[[4-(trifluoromethoxy)phenyl]methoxy]-3-pyridinyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(c2cncc(OCc3ccc(OC(F)(F)F)cc3)c2)CCO1
InChIInChI=1S/C18H17F3N2O5/c19-18(20,21)28-14-3-1-12(2-4-14)11-27-15-7-13(8-22-9-15)23-5-6-26-16(10-23)17(24)25/h1-4,7-9,16H,5-6,10-11H2,(H,24,25)
InChIKeyGTPHWGGPHKDVEC-UHFFFAOYSA-N
MW398.34 g/mol
LogP2.85
Rot. Bonds6

About 4-[5-[[4-(trifluoromethoxy)phenyl]methoxy]-3-pyridinyl]morpholine-2-carboxylic acid

4-[5-[[4-(trifluoromethoxy)phenyl]methoxy]-3-pyridinyl]morpholine-2-carboxylic acid (PubChem CID 175625254) has the molecular formula C18H17F3N2O5 and a molecular weight of 398.34 g/mol. Its IUPAC name is 4-[5-[[4-(trifluoromethoxy)phenyl]methoxy]-3-pyridinyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[5-[[4-(trifluoromethoxy)phenyl]methoxy]-3-pyridinyl]morpholine-2-carboxylic acid
PubChem CID175625254
Molecular FormulaC18H17F3N2O5
Molecular Weight398.34 g/mol
Exact Mass398.11
IUPAC Name4-[5-[[4-(trifluoromethoxy)phenyl]methoxy]-3-pyridinyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(c2cncc(OCc3ccc(OC(F)(F)F)cc3)c2)CCO1
InChIInChI=1S/C18H17F3N2O5/c19-18(20,21)28-14-3-1-12(2-4-14)11-27-15-7-13(8-22-9-15)23-5-6-26-16(10-23)17(24)25/h1-4,7-9,16H,5-6,10-11H2,(H,24,25)
InChIKeyGTPHWGGPHKDVEC-UHFFFAOYSA-N
XLogP2.85
TPSA81.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[[4-(trifluoromethoxy)phenyl]methoxy]-3-pyridinyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[5-[[4-(trifluoromethoxy)phenyl]methoxy]-3-pyridinyl]morpholine-2-carboxylic acid (CID 175625254) is 4-[5-[[4-(trifluoromethoxy)phenyl]methoxy]-3-pyridinyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[5-[[4-(trifluoromethoxy)phenyl]methoxy]-3-pyridinyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[5-[[4-(trifluoromethoxy)phenyl]methoxy]-3-pyridinyl]morpholine-2-carboxylic acid is O=C(O)C1CN(c2cncc(OCc3ccc(OC(F)(F)F)cc3)c2)CCO1.
What is the InChIKey of 4-[5-[[4-(trifluoromethoxy)phenyl]methoxy]-3-pyridinyl]morpholine-2-carboxylic acid?
The InChIKey is GTPHWGGPHKDVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O5/c19-18(20,21)28-14-3-1-12(2-4-14)11-27-15-7-13(8-22-9-15)23-5-6-26-16(10-23)17(24)25/h1-4,7-9,16H,5-6,10-11H2,(H,24,25).
What are the key properties of 4-[5-[[4-(trifluoromethoxy)phenyl]methoxy]-3-pyridinyl]morpholine-2-carboxylic acid?
4-[5-[[4-(trifluoromethoxy)phenyl]methoxy]-3-pyridinyl]morpholine-2-carboxylic acid has a molecular weight of 398.34 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[4-(trifluoromethoxy)phenyl]methoxy]-3-pyridinyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 175625254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).