2,3-dihydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid

C9H8F3NO4 — CID 170824360

IUPAC2,3-dihydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid
SMILESO=C(O)C(O)C(O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C9H8F3NO4/c10-9(11,12)5-2-1-4(3-13-5)6(14)7(15)8(16)17/h1-3,6-7,14-15H,(H,16,17)
InChIKeyCQDSYHGFIKTEMB-UHFFFAOYSA-N
MW251.16 g/mol
LogP0.58
Rot. Bonds3

About 2,3-dihydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid

2,3-dihydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid (PubChem CID 170824360) has the molecular formula C9H8F3NO4 and a molecular weight of 251.16 g/mol. Its IUPAC name is 2,3-dihydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid.

Molecular Properties

Compound Name2,3-dihydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid
PubChem CID170824360
Molecular FormulaC9H8F3NO4
Molecular Weight251.16 g/mol
Exact Mass251.04
IUPAC Name2,3-dihydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid
SMILESO=C(O)C(O)C(O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C9H8F3NO4/c10-9(11,12)5-2-1-4(3-13-5)6(14)7(15)8(16)17/h1-3,6-7,14-15H,(H,16,17)
InChIKeyCQDSYHGFIKTEMB-UHFFFAOYSA-N
XLogP0.58
TPSA90.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-chloro-3-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170823447
methyl 3,4-dihydroxy-4-[6-(trifluoromethyl)-3-pyridinyl]butanoate
CID 171895993
2-amino-3-hydroxy-1-pyrrolidin-1-yl-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-one;dihydrochloride
CID 68954916
(2R)-2-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid
CID 122703513
5-(1-iodoethyl)-2-(trifluoromethyl)pyridine
CID 142294771
N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide
CID 68813957
(2S,3S)-2-azido-3-(4-chlorophenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid
CID 126664510
[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]azanium
CID 164715814
3-(2-ethoxypyrimidin-5-yl)-2,3-dihydroxypropanoic acid
CID 170823966
bis[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 87948655
acetic acid;6-(trifluoromethyl)pyridin-3-ol
CID 162333498
2,2-difluoro-2-[6-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 151780532

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid?
The IUPAC name of 2,3-dihydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid (CID 170824360) is 2,3-dihydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid.
What is the SMILES notation for 2,3-dihydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid?
The canonical SMILES for 2,3-dihydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid is O=C(O)C(O)C(O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 2,3-dihydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid?
The InChIKey is CQDSYHGFIKTEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO4/c10-9(11,12)5-2-1-4(3-13-5)6(14)7(15)8(16)17/h1-3,6-7,14-15H,(H,16,17).
What are the key properties of 2,3-dihydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid?
2,3-dihydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid has a molecular weight of 251.16 g/mol, XLogP of 0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid is sourced from PubChem (CID 170824360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).