3-(2-fluoro-4-pyridinyl)-2,3-dihydroxypropanoic acid

C8H8FNO4 — CID 170823466

IUPAC3-(2-fluoro-4-pyridinyl)-2,3-dihydroxypropanoic acid
SMILESO=C(O)C(O)C(O)c1ccnc(F)c1
InChIInChI=1S/C8H8FNO4/c9-5-3-4(1-2-10-5)6(11)7(12)8(13)14/h1-3,6-7,11-12H,(H,13,14)
InChIKeyJGPYNROQADFDJO-UHFFFAOYSA-N
MW201.15 g/mol
LogP-0.30
Rot. Bonds3

About 3-(2-fluoro-4-pyridinyl)-2,3-dihydroxypropanoic acid

3-(2-fluoro-4-pyridinyl)-2,3-dihydroxypropanoic acid (PubChem CID 170823466) has the molecular formula C8H8FNO4 and a molecular weight of 201.15 g/mol. Its IUPAC name is 3-(2-fluoro-4-pyridinyl)-2,3-dihydroxypropanoic acid.

Molecular Properties

Compound Name3-(2-fluoro-4-pyridinyl)-2,3-dihydroxypropanoic acid
PubChem CID170823466
Molecular FormulaC8H8FNO4
Molecular Weight201.15 g/mol
Exact Mass201.04
IUPAC Name3-(2-fluoro-4-pyridinyl)-2,3-dihydroxypropanoic acid
SMILESO=C(O)C(O)C(O)c1ccnc(F)c1
InChIInChI=1S/C8H8FNO4/c9-5-3-4(1-2-10-5)6(11)7(12)8(13)14/h1-3,6-7,11-12H,(H,13,14)
InChIKeyJGPYNROQADFDJO-UHFFFAOYSA-N
XLogP-0.30
TPSA90.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.15
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-2-(2-fluoro-4-pyridinyl)acetic acid
CID 175831126
3-(2-fluoro-4-pyridinyl)-2,3-dihydroxypropanenitrile
CID 171869715
1-(2-fluoro-4-pyridinyl)butane-1,2,4-triol
CID 171871784
N-[4-(2-fluoro-4-pyridinyl)-3,4-dihydroxybutyl]acetamide
CID 171882533
5-(2-carboxy-1,2-dihydroxyethyl)-2-fluorobenzoic acid
CID 170824217
3-(5-chloro-2-fluoro-4-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170825058
2-amino-2-(2-fluoro-4-pyridinyl)-1-phenylethanol
CID 20743450
3-(4-chloro-3-fluorophenyl)-2,3-dihydroxypropanoic acid
CID 170823555
2,3-dihydroxy-3-(3,4,5-trifluorophenyl)propanoic acid
CID 170823796
(2-fluoro-4-pyridinyl)methanediamine
CID 146521385
2-(2-carboxy-1,2-dihydroxyethyl)-3-fluoropyridine-4-carboxylic acid
CID 170824385
3-(4-cyano-3-fluorophenyl)-2,3-dihydroxypropanoic acid
CID 170823998

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-pyridinyl)-2,3-dihydroxypropanoic acid?
The IUPAC name of 3-(2-fluoro-4-pyridinyl)-2,3-dihydroxypropanoic acid (CID 170823466) is 3-(2-fluoro-4-pyridinyl)-2,3-dihydroxypropanoic acid.
What is the SMILES notation for 3-(2-fluoro-4-pyridinyl)-2,3-dihydroxypropanoic acid?
The canonical SMILES for 3-(2-fluoro-4-pyridinyl)-2,3-dihydroxypropanoic acid is O=C(O)C(O)C(O)c1ccnc(F)c1.
What is the InChIKey of 3-(2-fluoro-4-pyridinyl)-2,3-dihydroxypropanoic acid?
The InChIKey is JGPYNROQADFDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO4/c9-5-3-4(1-2-10-5)6(11)7(12)8(13)14/h1-3,6-7,11-12H,(H,13,14).
What are the key properties of 3-(2-fluoro-4-pyridinyl)-2,3-dihydroxypropanoic acid?
3-(2-fluoro-4-pyridinyl)-2,3-dihydroxypropanoic acid has a molecular weight of 201.15 g/mol, XLogP of -0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-pyridinyl)-2,3-dihydroxypropanoic acid is sourced from PubChem (CID 170823466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).