4-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]butanoic acid

C11H12F3NO3 — CID 167442924

IUPAC4-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]butanoic acid
SMILESCOc1ncc(CCCC(=O)O)cc1C(F)(F)F
InChIInChI=1S/C11H12F3NO3/c1-18-10-8(11(12,13)14)5-7(6-15-10)3-2-4-9(16)17/h5-6H,2-4H2,1H3,(H,16,17)
InChIKeyQUSFGYMZIITPBP-UHFFFAOYSA-N
MW263.21 g/mol
LogP2.52
Rot. Bonds5

About 4-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]butanoic acid

4-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]butanoic acid (PubChem CID 167442924) has the molecular formula C11H12F3NO3 and a molecular weight of 263.21 g/mol. Its IUPAC name is 4-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]butanoic acid.

Molecular Properties

Compound Name4-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]butanoic acid
PubChem CID167442924
Molecular FormulaC11H12F3NO3
Molecular Weight263.21 g/mol
Exact Mass263.08
IUPAC Name4-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]butanoic acid
SMILESCOc1ncc(CCCC(=O)O)cc1C(F)(F)F
InChIInChI=1S/C11H12F3NO3/c1-18-10-8(11(12,13)14)5-7(6-15-10)3-2-4-9(16)17/h5-6H,2-4H2,1H3,(H,16,17)
InChIKeyQUSFGYMZIITPBP-UHFFFAOYSA-N
XLogP2.52
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-chloro-6-methoxy-3-pyridinyl)butanoic acid
CID 83893919
2-methoxy-5-propyl-3-(trifluoromethyl)pyridine
CID 168920568
2-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 167442979
[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]methanol
CID 11715423
(2S)-1-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]propan-2-ol
CID 167442820
2-[3-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]phenyl]acetic acid
CID 167442844
4-(3-tert-butyl-4-methoxyphenyl)butanoic acid
CID 57172546
4-[6-(3-carboxypropyl)-5-methyl-3-pyridinyl]butanoic acid
CID 70628772
(2,2,2-trifluoroacetyl) 3-[[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]oxy]propanoate
CID 175528501
methyl 4-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]but-3-ynoate
CID 170470375
4-[2,3-dimethoxy-6-(trifluoromethyl)phenyl]butanoic acid
CID 117471835
4-(2,4-dimethoxypyrimidin-5-yl)butanoic acid
CID 105483714

Frequently Asked Questions

What is the IUPAC name of 4-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]butanoic acid?
The IUPAC name of 4-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]butanoic acid (CID 167442924) is 4-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]butanoic acid.
What is the SMILES notation for 4-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]butanoic acid?
The canonical SMILES for 4-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]butanoic acid is COc1ncc(CCCC(=O)O)cc1C(F)(F)F.
What is the InChIKey of 4-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]butanoic acid?
The InChIKey is QUSFGYMZIITPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3/c1-18-10-8(11(12,13)14)5-7(6-15-10)3-2-4-9(16)17/h5-6H,2-4H2,1H3,(H,16,17).
What are the key properties of 4-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]butanoic acid?
4-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]butanoic acid has a molecular weight of 263.21 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]butanoic acid is sourced from PubChem (CID 167442924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).