2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]acetic acid;hydrochloride

C8H7ClF3NO3 — CID 154878754

IUPAC2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]acetic acid;hydrochloride
SMILESCl.O=C(O)COc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C8H6F3NO3.ClH/c9-8(10,11)6-3-5(1-2-12-6)15-4-7(13)14;/h1-3H,4H2,(H,13,14);1H
InChIKeyJEEYLHIZQSZLNZ-UHFFFAOYSA-N
MW257.60 g/mol
LogP1.99
Rot. Bonds3

About 2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]acetic acid;hydrochloride

2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]acetic acid;hydrochloride (PubChem CID 154878754) has the molecular formula C8H7ClF3NO3 and a molecular weight of 257.60 g/mol. Its IUPAC name is 2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]acetic acid;hydrochloride.

Molecular Properties

Compound Name2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]acetic acid;hydrochloride
PubChem CID154878754
Molecular FormulaC8H7ClF3NO3
Molecular Weight257.60 g/mol
Exact Mass257.01
IUPAC Name2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]acetic acid;hydrochloride
SMILESCl.O=C(O)COc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C8H6F3NO3.ClH/c9-8(10,11)6-3-5(1-2-12-6)15-4-7(13)14;/h1-3H,4H2,(H,13,14);1H
InChIKeyJEEYLHIZQSZLNZ-UHFFFAOYSA-N
XLogP1.99
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.60
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(trifluoromethyl)pyrimidin-4-yl]oxyacetic acid
CID 94077245
N-[2-(2-methylphenyl)ethyl]-2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]acetamide
CID 100712238
2-[[2-(dibromomethyl)-4-pyridinyl]oxy]acetic acid
CID 175524021
2-[[2-(trifluoromethyl)-4-pyridinyl]sulfanyl]acetic acid
CID 146291207
1-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]phenyl]ethanone
CID 175454937
(1S,5R)-6-[[2-(trifluoromethyl)-4-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexane;hydrochloride
CID 174213953
4-[2-(trifluoromethyl)-4-pyridinyl]but-3-enoic acid
CID 170483926
2-[methyl-[2-(trifluoromethyl)-4-pyridinyl]amino]acetic acid
CID 83841313
2-(4-methylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide
CID 166976301
3-(4-chlorophenyl)-3-[2-(trifluoromethyl)-4-pyridinyl]propanoic acid
CID 138546971
2-(4-tert-butylphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]acetamide
CID 169075439
(2R)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]oxy]cyclohexyl]propanoic acid
CID 175716062

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]acetic acid;hydrochloride?
The IUPAC name of 2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]acetic acid;hydrochloride (CID 154878754) is 2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]acetic acid;hydrochloride.
What is the SMILES notation for 2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]acetic acid;hydrochloride?
The canonical SMILES for 2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]acetic acid;hydrochloride is Cl.O=C(O)COc1ccnc(C(F)(F)F)c1.
What is the InChIKey of 2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]acetic acid;hydrochloride?
The InChIKey is JEEYLHIZQSZLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO3.ClH/c9-8(10,11)6-3-5(1-2-12-6)15-4-7(13)14;/h1-3H,4H2,(H,13,14);1H.
What are the key properties of 2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]acetic acid;hydrochloride?
2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]acetic acid;hydrochloride has a molecular weight of 257.60 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(trifluoromethyl)-4-pyridinyl]oxy]acetic acid;hydrochloride is sourced from PubChem (CID 154878754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).