2-[5-fluoro-6-(hydroxymethyl)-3-pyridinyl]propanoic acid

C9H10FNO3 — CID 121364778

IUPAC2-[5-fluoro-6-(hydroxymethyl)-3-pyridinyl]propanoic acid
SMILESCC(C(=O)O)c1cnc(CO)c(F)c1
InChIInChI=1S/C9H10FNO3/c1-5(9(13)14)6-2-7(10)8(4-12)11-3-6/h2-3,5,12H,4H2,1H3,(H,13,14)
InChIKeyUTMKJQNJTVPVRR-UHFFFAOYSA-N
MW199.18 g/mol
LogP0.90
Rot. Bonds3

About 2-[5-fluoro-6-(hydroxymethyl)-3-pyridinyl]propanoic acid

2-[5-fluoro-6-(hydroxymethyl)-3-pyridinyl]propanoic acid (PubChem CID 121364778) has the molecular formula C9H10FNO3 and a molecular weight of 199.18 g/mol. Its IUPAC name is 2-[5-fluoro-6-(hydroxymethyl)-3-pyridinyl]propanoic acid.

Molecular Properties

Compound Name2-[5-fluoro-6-(hydroxymethyl)-3-pyridinyl]propanoic acid
PubChem CID121364778
Molecular FormulaC9H10FNO3
Molecular Weight199.18 g/mol
Exact Mass199.06
IUPAC Name2-[5-fluoro-6-(hydroxymethyl)-3-pyridinyl]propanoic acid
SMILESCC(C(=O)O)c1cnc(CO)c(F)c1
InChIInChI=1S/C9H10FNO3/c1-5(9(13)14)6-2-7(10)8(4-12)11-3-6/h2-3,5,12H,4H2,1H3,(H,13,14)
InChIKeyUTMKJQNJTVPVRR-UHFFFAOYSA-N
XLogP0.90
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.18
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 92983104
2-(3-fluoro-4,5-dimethylphenyl)propanoic acid
CID 84773925
2-(2,3,5,6-tetrafluorophenyl)propanoic acid
CID 117317414
2-[3-fluoro-4-(5-methyl-1,3-thiazol-2-yl)phenyl]propanoic acid
CID 15163947
sodium;2-(3-fluoro-4-phenylphenyl)propanoic acid;hydride
CID 172995337
2-(4-bromo-3-chloro-5-fluorophenyl)propanoic acid
CID 117452032
3,3-difluoro-3-(3-fluoro-5-propan-2-yl-2-pyridinyl)propanoic acid
CID 155298020
sodium;carbonic acid;2-(3-fluoro-4-phenylphenyl)propanoic acid;hydride
CID 173161937
(2R)-2-amino-3-(3,5-difluoro-2-pyridinyl)propanoic acid
CID 131055961
(2R)-2-(4-fluorophenyl)propanoic acid
CID 7005040
[3-(difluoromethyl)-4-fluoro-5-methyl-2-pyridinyl]methanol
CID 130081112
2-[4-(1-carboxyethyl)phenyl]propanoic acid
CID 601009

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-6-(hydroxymethyl)-3-pyridinyl]propanoic acid?
The IUPAC name of 2-[5-fluoro-6-(hydroxymethyl)-3-pyridinyl]propanoic acid (CID 121364778) is 2-[5-fluoro-6-(hydroxymethyl)-3-pyridinyl]propanoic acid.
What is the SMILES notation for 2-[5-fluoro-6-(hydroxymethyl)-3-pyridinyl]propanoic acid?
The canonical SMILES for 2-[5-fluoro-6-(hydroxymethyl)-3-pyridinyl]propanoic acid is CC(C(=O)O)c1cnc(CO)c(F)c1.
What is the InChIKey of 2-[5-fluoro-6-(hydroxymethyl)-3-pyridinyl]propanoic acid?
The InChIKey is UTMKJQNJTVPVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO3/c1-5(9(13)14)6-2-7(10)8(4-12)11-3-6/h2-3,5,12H,4H2,1H3,(H,13,14).
What are the key properties of 2-[5-fluoro-6-(hydroxymethyl)-3-pyridinyl]propanoic acid?
2-[5-fluoro-6-(hydroxymethyl)-3-pyridinyl]propanoic acid has a molecular weight of 199.18 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-6-(hydroxymethyl)-3-pyridinyl]propanoic acid is sourced from PubChem (CID 121364778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).