2-fluoro-2-(2-methyl-6-oxo-1-pyridinyl)acetic acid

C8H8FNO3 — CID 81297756

IUPAC2-fluoro-2-(2-methyl-6-oxo-1-pyridinyl)acetic acid
SMILESCc1cccc(=O)n1C(F)C(=O)O
InChIInChI=1S/C8H8FNO3/c1-5-3-2-4-6(11)10(5)7(9)8(12)13/h2-4,7H,1H3,(H,12,13)
InChIKeyXYDDAFNISOXKFH-UHFFFAOYSA-N
MW185.15 g/mol
LogP0.71
Rot. Bonds2

About 2-fluoro-2-(2-methyl-6-oxo-1-pyridinyl)acetic acid

2-fluoro-2-(2-methyl-6-oxo-1-pyridinyl)acetic acid (PubChem CID 81297756) has the molecular formula C8H8FNO3 and a molecular weight of 185.15 g/mol. Its IUPAC name is 2-fluoro-2-(2-methyl-6-oxo-1-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(2-methyl-6-oxo-1-pyridinyl)acetic acid
PubChem CID81297756
Molecular FormulaC8H8FNO3
Molecular Weight185.15 g/mol
Exact Mass185.05
IUPAC Name2-fluoro-2-(2-methyl-6-oxo-1-pyridinyl)acetic acid
SMILESCc1cccc(=O)n1C(F)C(=O)O
InChIInChI=1S/C8H8FNO3/c1-5-3-2-4-6(11)10(5)7(9)8(12)13/h2-4,7H,1H3,(H,12,13)
InChIKeyXYDDAFNISOXKFH-UHFFFAOYSA-N
XLogP0.71
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.15
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(2-methyl-6-oxo-1-pyridinyl)acetic acid?
The IUPAC name of 2-fluoro-2-(2-methyl-6-oxo-1-pyridinyl)acetic acid (CID 81297756) is 2-fluoro-2-(2-methyl-6-oxo-1-pyridinyl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(2-methyl-6-oxo-1-pyridinyl)acetic acid?
The canonical SMILES for 2-fluoro-2-(2-methyl-6-oxo-1-pyridinyl)acetic acid is Cc1cccc(=O)n1C(F)C(=O)O.
What is the InChIKey of 2-fluoro-2-(2-methyl-6-oxo-1-pyridinyl)acetic acid?
The InChIKey is XYDDAFNISOXKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO3/c1-5-3-2-4-6(11)10(5)7(9)8(12)13/h2-4,7H,1H3,(H,12,13).
What are the key properties of 2-fluoro-2-(2-methyl-6-oxo-1-pyridinyl)acetic acid?
2-fluoro-2-(2-methyl-6-oxo-1-pyridinyl)acetic acid has a molecular weight of 185.15 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(2-methyl-6-oxo-1-pyridinyl)acetic acid is sourced from PubChem (CID 81297756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).