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

C9H10FNO4 — CID 171877157

IUPAC4-(3-fluoro-4-pyridinyl)-3,4-dihydroxybutanoic acid
SMILESO=C(O)CC(O)C(O)c1ccncc1F
InChIInChI=1S/C9H10FNO4/c10-6-4-11-2-1-5(6)9(15)7(12)3-8(13)14/h1-2,4,7,9,12,15H,3H2,(H,13,14)
InChIKeyUUEYVSIFMAQSBT-UHFFFAOYSA-N
MW215.18 g/mol
LogP0.09
Rot. Bonds4

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

4-(3-fluoro-4-pyridinyl)-3,4-dihydroxybutanoic acid (PubChem CID 171877157) has the molecular formula C9H10FNO4 and a molecular weight of 215.18 g/mol. Its IUPAC name is 4-(3-fluoro-4-pyridinyl)-3,4-dihydroxybutanoic acid.

Molecular Properties

Compound Name4-(3-fluoro-4-pyridinyl)-3,4-dihydroxybutanoic acid
PubChem CID171877157
Molecular FormulaC9H10FNO4
Molecular Weight215.18 g/mol
Exact Mass215.06
IUPAC Name4-(3-fluoro-4-pyridinyl)-3,4-dihydroxybutanoic acid
SMILESO=C(O)CC(O)C(O)c1ccncc1F
InChIInChI=1S/C9H10FNO4/c10-6-4-11-2-1-5(6)9(15)7(12)3-8(13)14/h1-2,4,7,9,12,15H,3H2,(H,13,14)
InChIKeyUUEYVSIFMAQSBT-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

1-(3-fluoro-4-pyridinyl)butane-1,2-diol
CID 103454633
3,4-dihydroxy-4-[4-(trifluoromethyl)-3-pyridinyl]butanoic acid
CID 171878084
N-[3-(3-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170829540
2-(3-fluoro-4-pyridinyl)-2-hydroxyacetic acid
CID 104737624
4-(2,3-difluorophenyl)-3,4-dihydroxybutanoic acid
CID 171877250
(3R)-3-(3-fluoro-4-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
CID 165405329
1-cyclopropyl-2-(3-fluoro-4-pyridinyl)ethane-1,2-diol
CID 103456925
9H-fluoren-9-ylmethyl N-[3-(3-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 170833655
2-ethoxy-1-(3-fluoro-4-pyridinyl)-3-methylbutan-1-ol
CID 116712381
3-amino-3-(3-hydroxy-4-pyridinyl)propanoic acid
CID 55293779
4-(2-bromo-5-fluorophenyl)-3,4-dihydroxybutanoic acid
CID 171878755
1-(3-fluoro-4-pyridinyl)-2-methylsulfonylethanol
CID 115834015

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-pyridinyl)-3,4-dihydroxybutanoic acid?
The IUPAC name of 4-(3-fluoro-4-pyridinyl)-3,4-dihydroxybutanoic acid (CID 171877157) is 4-(3-fluoro-4-pyridinyl)-3,4-dihydroxybutanoic acid.
What is the SMILES notation for 4-(3-fluoro-4-pyridinyl)-3,4-dihydroxybutanoic acid?
The canonical SMILES for 4-(3-fluoro-4-pyridinyl)-3,4-dihydroxybutanoic acid is O=C(O)CC(O)C(O)c1ccncc1F.
What is the InChIKey of 4-(3-fluoro-4-pyridinyl)-3,4-dihydroxybutanoic acid?
The InChIKey is UUEYVSIFMAQSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO4/c10-6-4-11-2-1-5(6)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-(3-fluoro-4-pyridinyl)-3,4-dihydroxybutanoic acid?
4-(3-fluoro-4-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-(3-fluoro-4-pyridinyl)-3,4-dihydroxybutanoic acid is sourced from PubChem (CID 171877157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).