3,4-dihydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]butanoic acid

C10H10F3NO4 — CID 171878081

IUPAC3,4-dihydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]butanoic acid
SMILESO=C(O)CC(O)C(O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H10F3NO4/c11-10(12,13)5-1-2-6(14-4-5)9(18)7(15)3-8(16)17/h1-2,4,7,9,15,18H,3H2,(H,16,17)
InChIKeyRDIVFJICNVIEPV-UHFFFAOYSA-N
MW265.19 g/mol
LogP0.97
Rot. Bonds4

About 3,4-dihydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]butanoic acid

3,4-dihydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]butanoic acid (PubChem CID 171878081) has the molecular formula C10H10F3NO4 and a molecular weight of 265.19 g/mol. Its IUPAC name is 3,4-dihydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]butanoic acid.

Molecular Properties

Compound Name3,4-dihydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]butanoic acid
PubChem CID171878081
Molecular FormulaC10H10F3NO4
Molecular Weight265.19 g/mol
Exact Mass265.06
IUPAC Name3,4-dihydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]butanoic acid
SMILESO=C(O)CC(O)C(O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H10F3NO4/c11-10(12,13)5-1-2-6(14-4-5)9(18)7(15)3-8(16)17/h1-2,4,7,9,15,18H,3H2,(H,16,17)
InChIKeyRDIVFJICNVIEPV-UHFFFAOYSA-N
XLogP0.97
TPSA90.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-Hydroxy-4-(3-pyridyl)butanoic acid
CID 438
4-(3-Pyridyl)-4-hydroxybutyric acid, (4S)-
CID 40467863
Ethyl 3-hydroxy-3-(pyridin-3-yl)propanoate
CID 10465246
5-(3',4'-Dihydroxybutyl)-2-pyridinecarboxylic acid
CID 127204
2-Hydroxy-2-(3-methylpyridin-2-yl)acetic acid hydrochloride
CID 86812467
Sodium 2-hydroxy-2-(5-methylpyridin-2-yl)acetate
CID 165941651
5-(2,2,2-Trifluoro-1-hydroxyethyl)pyridine-2-carboxylic acid
CID 165989795
1-(3-Pyridyl)-1-butanol-4-carboxylic Acid Na+/NH4+ Salt
CID 4394792
ethyl (2S,3S)-2-fluoro-3-hydroxy-3-(pyridin-3-yl)propanoate
CID 146018236
ethyl (2R,3S)-2-fluoro-3-hydroxy-3-pyridin-3-ylpropanoate
CID 134955287
ethyl (7R,9S)-9-hydroxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-7-carboxylate
CID 58946037
4-(3'-Pyridyl)-4-hydroxybutyric acid
CID 82408614

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]butanoic acid?
The IUPAC name of 3,4-dihydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]butanoic acid (CID 171878081) is 3,4-dihydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]butanoic acid.
What is the SMILES notation for 3,4-dihydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]butanoic acid?
The canonical SMILES for 3,4-dihydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]butanoic acid is O=C(O)CC(O)C(O)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 3,4-dihydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]butanoic acid?
The InChIKey is RDIVFJICNVIEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO4/c11-10(12,13)5-1-2-6(14-4-5)9(18)7(15)3-8(16)17/h1-2,4,7,9,15,18H,3H2,(H,16,17).
What are the key properties of 3,4-dihydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]butanoic acid?
3,4-dihydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]butanoic acid has a molecular weight of 265.19 g/mol, XLogP of 0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]butanoic acid is sourced from PubChem (CID 171878081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).