2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoic acid;hydrochloride

C15H13ClF3NO4 — CID 70383317

IUPAC2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoic acid;hydrochloride
SMILESCC(Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C(=O)O.Cl
InChIInChI=1S/C15H12F3NO4.ClH/c1-9(14(20)21)22-11-3-5-12(6-4-11)23-13-7-2-10(8-19-13)15(16,17)18;/h2-9H,1H3,(H,20,21);1H
InChIKeyMQMALEPHLDWKOK-UHFFFAOYSA-N
MW363.72 g/mol
LogP4.17
Rot. Bonds5

About 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoic acid;hydrochloride

2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoic acid;hydrochloride (PubChem CID 70383317) has the molecular formula C15H13ClF3NO4 and a molecular weight of 363.72 g/mol. Its IUPAC name is 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoic acid;hydrochloride
PubChem CID70383317
Molecular FormulaC15H13ClF3NO4
Molecular Weight363.72 g/mol
Exact Mass363.05
IUPAC Name2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoic acid;hydrochloride
SMILESCC(Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C(=O)O.Cl
InChIInChI=1S/C15H12F3NO4.ClH/c1-9(14(20)21)22-11-3-5-12(6-4-11)23-13-7-2-10(8-19-13)15(16,17)18;/h2-9H,1H3,(H,20,21);1H
InChIKeyMQMALEPHLDWKOK-UHFFFAOYSA-N
XLogP4.17
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.72
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoic acid;hydrochloride?
The IUPAC name of 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoic acid;hydrochloride (CID 70383317) is 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoic acid;hydrochloride.
What is the SMILES notation for 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoic acid;hydrochloride?
The canonical SMILES for 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoic acid;hydrochloride is CC(Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C(=O)O.Cl.
What is the InChIKey of 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoic acid;hydrochloride?
The InChIKey is MQMALEPHLDWKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO4.ClH/c1-9(14(20)21)22-11-3-5-12(6-4-11)23-13-7-2-10(8-19-13)15(16,17)18;/h2-9H,1H3,(H,20,21);1H.
What are the key properties of 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoic acid;hydrochloride?
2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoic acid;hydrochloride has a molecular weight of 363.72 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoic acid;hydrochloride is sourced from PubChem (CID 70383317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).