2-(3-fluoro-4-pyridinyl)-2-hydroxyacetic acid

C7H6FNO3 — CID 104737624

IUPAC2-(3-fluoro-4-pyridinyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccncc1F
InChIInChI=1S/C7H6FNO3/c8-5-3-9-2-1-4(5)6(10)7(11)12/h1-3,6,10H,(H,11,12)
InChIKeyYAICDHHJBVEHFD-UHFFFAOYSA-N
MW171.13 g/mol
LogP0.34
Rot. Bonds2

About 2-(3-fluoro-4-pyridinyl)-2-hydroxyacetic acid

2-(3-fluoro-4-pyridinyl)-2-hydroxyacetic acid (PubChem CID 104737624) has the molecular formula C7H6FNO3 and a molecular weight of 171.13 g/mol. Its IUPAC name is 2-(3-fluoro-4-pyridinyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(3-fluoro-4-pyridinyl)-2-hydroxyacetic acid
PubChem CID104737624
Molecular FormulaC7H6FNO3
Molecular Weight171.13 g/mol
Exact Mass171.03
IUPAC Name2-(3-fluoro-4-pyridinyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccncc1F
InChIInChI=1S/C7H6FNO3/c8-5-3-9-2-1-4(5)6(10)7(11)12/h1-3,6,10H,(H,11,12)
InChIKeyYAICDHHJBVEHFD-UHFFFAOYSA-N
XLogP0.34
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.13
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-fluoro-4-pyridinyl)-3,4-dihydroxybutanoic acid
CID 171877157
2-(3-fluoro-2-pyridin-3-ylphenyl)-2-hydroxyacetic acid
CID 46315689
1-(3-fluoro-4-pyridinyl)prop-2-yn-1-ol
CID 105106256
(3-fluoro-4-pyridinyl)-(2,3,4,5,6-pentafluorophenyl)methanol
CID 115833939
1-[(3-fluoro-4-pyridinyl)-hydroxymethyl]-4-methyl-7-azabicyclo[2.2.1]heptane-7-carboxylic acid
CID 170328788
6-diazo-2-[[2-(3-fluoro-4-pyridinyl)-2-hydroxyacetyl]amino]-5-oxohexanoic acid
CID 170436876
1-(3-fluoro-4-pyridinyl)-2-methylsulfonylethanol
CID 115834015
1-(3-fluoro-4-pyridinyl)butane-1,2-diol
CID 103454633
1-cyclopropyl-2-(3-fluoro-4-pyridinyl)ethane-1,2-diol
CID 103456925
N-[3-(3-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170829540
1-(3-fluoro-4-pyridinyl)ethanethiol
CID 89277032
2-fluoro-2-(3-methyl-4-pyridinyl)acetic acid
CID 79366521

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-pyridinyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(3-fluoro-4-pyridinyl)-2-hydroxyacetic acid (CID 104737624) is 2-(3-fluoro-4-pyridinyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(3-fluoro-4-pyridinyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(3-fluoro-4-pyridinyl)-2-hydroxyacetic acid is O=C(O)C(O)c1ccncc1F.
What is the InChIKey of 2-(3-fluoro-4-pyridinyl)-2-hydroxyacetic acid?
The InChIKey is YAICDHHJBVEHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNO3/c8-5-3-9-2-1-4(5)6(10)7(11)12/h1-3,6,10H,(H,11,12).
What are the key properties of 2-(3-fluoro-4-pyridinyl)-2-hydroxyacetic acid?
2-(3-fluoro-4-pyridinyl)-2-hydroxyacetic acid has a molecular weight of 171.13 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-pyridinyl)-2-hydroxyacetic acid is sourced from PubChem (CID 104737624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).