4-(5-fluoro-2-oxo-1-pyridinyl)butanoic acid

C9H10FNO3 — CID 82147389

IUPAC4-(5-fluoro-2-oxo-1-pyridinyl)butanoic acid
SMILESO=C(O)CCCn1cc(F)ccc1=O
InChIInChI=1S/C9H10FNO3/c10-7-3-4-8(12)11(6-7)5-1-2-9(13)14/h3-4,6H,1-2,5H2,(H,13,14)
InChIKeyMWYACURNXNHQAG-UHFFFAOYSA-N
MW199.18 g/mol
LogP0.85
Rot. Bonds4

About 4-(5-fluoro-2-oxo-1-pyridinyl)butanoic acid

4-(5-fluoro-2-oxo-1-pyridinyl)butanoic acid (PubChem CID 82147389) has the molecular formula C9H10FNO3 and a molecular weight of 199.18 g/mol. Its IUPAC name is 4-(5-fluoro-2-oxo-1-pyridinyl)butanoic acid.

Molecular Properties

Compound Name4-(5-fluoro-2-oxo-1-pyridinyl)butanoic acid
PubChem CID82147389
Molecular FormulaC9H10FNO3
Molecular Weight199.18 g/mol
Exact Mass199.06
IUPAC Name4-(5-fluoro-2-oxo-1-pyridinyl)butanoic acid
SMILESO=C(O)CCCn1cc(F)ccc1=O
InChIInChI=1S/C9H10FNO3/c10-7-3-4-8(12)11(6-7)5-1-2-9(13)14/h3-4,6H,1-2,5H2,(H,13,14)
InChIKeyMWYACURNXNHQAG-UHFFFAOYSA-N
XLogP0.85
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.18
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-Oxo-5-(trifluoromethyl)-1-pyridinyl]butanoic acid
CID 62033117
4-[2-Oxo-6-(trifluoromethyl)-1-pyridinyl]butanoic acid
CID 81320317
3-(5-Fluoro-2-oxo-1-pyridinyl)propanoic acid
CID 82146617
5-(5-Fluoro-2-oxo-1-pyridinyl)pentanoic acid
CID 82147478
Methyl 4-(5-fluoro-2-oxo-1-pyridinyl)butanoate
CID 84313835
4-(3-Hydroxy-2-oxo-1-pyridinyl)butanoic acid
CID 10330335
4-(2-Oxo-1,2-dihydropyridin-1-yl)butanoic acid
CID 12390553
4-(3-Methyl-2-oxo-1-pyridinyl)butanoic acid
CID 63172860
4-(2-Methylidene-5-oxopyrrol-1-yl)butanoic acid
CID 126589476
4-(5-oxo-2H-pyrrol-1-yl)butanoic acid
CID 146637996
Methyl 4-(2-oxo-1-pyridinyl)butanoate
CID 12390557
4-(5-Bromo-2-oxo-1-pyridinyl)butanoic acid
CID 20117178

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-oxo-1-pyridinyl)butanoic acid?
The IUPAC name of 4-(5-fluoro-2-oxo-1-pyridinyl)butanoic acid (CID 82147389) is 4-(5-fluoro-2-oxo-1-pyridinyl)butanoic acid.
What is the SMILES notation for 4-(5-fluoro-2-oxo-1-pyridinyl)butanoic acid?
The canonical SMILES for 4-(5-fluoro-2-oxo-1-pyridinyl)butanoic acid is O=C(O)CCCn1cc(F)ccc1=O.
What is the InChIKey of 4-(5-fluoro-2-oxo-1-pyridinyl)butanoic acid?
The InChIKey is MWYACURNXNHQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO3/c10-7-3-4-8(12)11(6-7)5-1-2-9(13)14/h3-4,6H,1-2,5H2,(H,13,14).
What are the key properties of 4-(5-fluoro-2-oxo-1-pyridinyl)butanoic acid?
4-(5-fluoro-2-oxo-1-pyridinyl)butanoic acid has a molecular weight of 199.18 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-oxo-1-pyridinyl)butanoic acid is sourced from PubChem (CID 82147389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).