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

C10H10F3NO4 — CID 171878084

IUPAC3,4-dihydroxy-4-[4-(trifluoromethyl)-3-pyridinyl]butanoic acid
SMILESO=C(O)CC(O)C(O)c1cnccc1C(F)(F)F
InChIInChI=1S/C10H10F3NO4/c11-10(12,13)6-1-2-14-4-5(6)9(18)7(15)3-8(16)17/h1-2,4,7,9,15,18H,3H2,(H,16,17)
InChIKeyNBDTVDFRZOWQJJ-UHFFFAOYSA-N
MW265.19 g/mol
LogP0.97
Rot. Bonds4

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

3,4-dihydroxy-4-[4-(trifluoromethyl)-3-pyridinyl]butanoic acid (PubChem CID 171878084) has the molecular formula C10H10F3NO4 and a molecular weight of 265.19 g/mol. Its IUPAC name is 3,4-dihydroxy-4-[4-(trifluoromethyl)-3-pyridinyl]butanoic acid.

Molecular Properties

Compound Name3,4-dihydroxy-4-[4-(trifluoromethyl)-3-pyridinyl]butanoic acid
PubChem CID171878084
Molecular FormulaC10H10F3NO4
Molecular Weight265.19 g/mol
Exact Mass265.06
IUPAC Name3,4-dihydroxy-4-[4-(trifluoromethyl)-3-pyridinyl]butanoic acid
SMILESO=C(O)CC(O)C(O)c1cnccc1C(F)(F)F
InChIInChI=1S/C10H10F3NO4/c11-10(12,13)6-1-2-14-4-5(6)9(18)7(15)3-8(16)17/h1-2,4,7,9,15,18H,3H2,(H,16,17)
InChIKeyNBDTVDFRZOWQJJ-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-(3-fluoro-4-pyridinyl)-3,4-dihydroxybutanoic acid
CID 171877157
4-(methylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diol
CID 171890626
[4-(trifluoromethyl)-3-pyridinyl]methanediol
CID 162592484
3,3-difluoro-3-[4-(trifluoromethyl)-3-pyridinyl]propanoic acid
CID 162738026
1-[4-(trifluoromethyl)-3-pyridinyl]but-3-en-1-ol
CID 102707910
2-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-ol
CID 102707914
2-(3,5-dimethylphenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
CID 102707787
(3S)-3-hydroxy-3-[2-(trifluoromethyl)phenyl]propanoic acid
CID 94425338
2-cyclopropyl-2-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
CID 102707917
3,4-dihydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]butanoic acid
CID 171878081
4,4-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-ol
CID 114211469
(2-bromophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 102707279

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-4-[4-(trifluoromethyl)-3-pyridinyl]butanoic acid?
The IUPAC name of 3,4-dihydroxy-4-[4-(trifluoromethyl)-3-pyridinyl]butanoic acid (CID 171878084) is 3,4-dihydroxy-4-[4-(trifluoromethyl)-3-pyridinyl]butanoic acid.
What is the SMILES notation for 3,4-dihydroxy-4-[4-(trifluoromethyl)-3-pyridinyl]butanoic acid?
The canonical SMILES for 3,4-dihydroxy-4-[4-(trifluoromethyl)-3-pyridinyl]butanoic acid is O=C(O)CC(O)C(O)c1cnccc1C(F)(F)F.
What is the InChIKey of 3,4-dihydroxy-4-[4-(trifluoromethyl)-3-pyridinyl]butanoic acid?
The InChIKey is NBDTVDFRZOWQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO4/c11-10(12,13)6-1-2-14-4-5(6)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-[4-(trifluoromethyl)-3-pyridinyl]butanoic acid?
3,4-dihydroxy-4-[4-(trifluoromethyl)-3-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-[4-(trifluoromethyl)-3-pyridinyl]butanoic acid is sourced from PubChem (CID 171878084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).