4-(5-fluoro-2-pyridinyl)-3,4-dihydroxybutanoic acid

C9H10FNO4 — CID 171877149

IUPAC4-(5-fluoro-2-pyridinyl)-3,4-dihydroxybutanoic acid
SMILESO=C(O)CC(O)C(O)c1ccc(F)cn1
InChIInChI=1S/C9H10FNO4/c10-5-1-2-6(11-4-5)9(15)7(12)3-8(13)14/h1-2,4,7,9,12,15H,3H2,(H,13,14)
InChIKeyWFLIBQBZOWDKKU-UHFFFAOYSA-N
MW215.18 g/mol
LogP0.09
Rot. Bonds4

About 4-(5-fluoro-2-pyridinyl)-3,4-dihydroxybutanoic acid

4-(5-fluoro-2-pyridinyl)-3,4-dihydroxybutanoic acid (PubChem CID 171877149) has the molecular formula C9H10FNO4 and a molecular weight of 215.18 g/mol. Its IUPAC name is 4-(5-fluoro-2-pyridinyl)-3,4-dihydroxybutanoic acid.

Molecular Properties

Compound Name4-(5-fluoro-2-pyridinyl)-3,4-dihydroxybutanoic acid
PubChem CID171877149
Molecular FormulaC9H10FNO4
Molecular Weight215.18 g/mol
Exact Mass215.06
IUPAC Name4-(5-fluoro-2-pyridinyl)-3,4-dihydroxybutanoic acid
SMILESO=C(O)CC(O)C(O)c1ccc(F)cn1
InChIInChI=1S/C9H10FNO4/c10-5-1-2-6(11-4-5)9(15)7(12)3-8(13)14/h1-2,4,7,9,12,15H,3H2,(H,13,14)
InChIKeyWFLIBQBZOWDKKU-UHFFFAOYSA-N
XLogP0.09
TPSA90.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.18
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydroxy-4-[5-(trifluoromethyl)-2-pyridinyl]butanoic acid
CID 171878081
3,4-dihydroxy-4-pyridin-2-ylbutanoic acid
CID 171877086
(1S,2S)-2-amino-1-(5-fluoro-2-pyridinyl)propane-1,3-diol
CID 135302857
3-amino-3-(5-fluoro-2-pyridinyl)propanamide
CID 87634519
4-(5-bromopyrimidin-2-yl)-3,4-dihydroxybutanoic acid
CID 171878730
(1R)-2-amino-1-(5-fluoro-2-pyridinyl)ethanol
CID 83128440
(1S,2R)-1-(5-fluoro-2-pyridinyl)-1-hydroxypropane-2-sulfonamide
CID 122702502
4-(2-bromo-4-fluorophenyl)-3,4-dihydroxybutanoic acid
CID 171878756
4-(3-fluoro-4-pyridinyl)-3,4-dihydroxybutanoic acid
CID 171877157
tert-butyl N-[1-(5-fluoro-2-pyridinyl)-1,3-dihydroxypropan-2-yl]carbamate
CID 155173285
(3R)-3-(4-fluorophenyl)-3-hydroxypropanoic acid
CID 89304540
3-[1-(5-fluoro-2-pyridinyl)ethyl-methylamino]propanoic acid
CID 83128740

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-pyridinyl)-3,4-dihydroxybutanoic acid?
The IUPAC name of 4-(5-fluoro-2-pyridinyl)-3,4-dihydroxybutanoic acid (CID 171877149) is 4-(5-fluoro-2-pyridinyl)-3,4-dihydroxybutanoic acid.
What is the SMILES notation for 4-(5-fluoro-2-pyridinyl)-3,4-dihydroxybutanoic acid?
The canonical SMILES for 4-(5-fluoro-2-pyridinyl)-3,4-dihydroxybutanoic acid is O=C(O)CC(O)C(O)c1ccc(F)cn1.
What is the InChIKey of 4-(5-fluoro-2-pyridinyl)-3,4-dihydroxybutanoic acid?
The InChIKey is WFLIBQBZOWDKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO4/c10-5-1-2-6(11-4-5)9(15)7(12)3-8(13)14/h1-2,4,7,9,12,15H,3H2,(H,13,14).
What are the key properties of 4-(5-fluoro-2-pyridinyl)-3,4-dihydroxybutanoic acid?
4-(5-fluoro-2-pyridinyl)-3,4-dihydroxybutanoic acid has a molecular weight of 215.18 g/mol, XLogP of 0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-pyridinyl)-3,4-dihydroxybutanoic acid is sourced from PubChem (CID 171877149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).