2-(5-fluoro-2-oxo-1-pyridinyl)-2-methylpropanoic acid

C9H10FNO3 — CID 82146669

IUPAC2-(5-fluoro-2-oxo-1-pyridinyl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)n1cc(F)ccc1=O
InChIInChI=1S/C9H10FNO3/c1-9(2,8(13)14)11-5-6(10)3-4-7(11)12/h3-5H,1-2H3,(H,13,14)
InChIKeyWHBSHJKHGLNMHB-UHFFFAOYSA-N
MW199.18 g/mol
LogP0.81
Rot. Bonds2

About 2-(5-fluoro-2-oxo-1-pyridinyl)-2-methylpropanoic acid

2-(5-fluoro-2-oxo-1-pyridinyl)-2-methylpropanoic acid (PubChem CID 82146669) has the molecular formula C9H10FNO3 and a molecular weight of 199.18 g/mol. Its IUPAC name is 2-(5-fluoro-2-oxo-1-pyridinyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(5-fluoro-2-oxo-1-pyridinyl)-2-methylpropanoic acid
PubChem CID82146669
Molecular FormulaC9H10FNO3
Molecular Weight199.18 g/mol
Exact Mass199.06
IUPAC Name2-(5-fluoro-2-oxo-1-pyridinyl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)n1cc(F)ccc1=O
InChIInChI=1S/C9H10FNO3/c1-9(2,8(13)14)11-5-6(10)3-4-7(11)12/h3-5H,1-2H3,(H,13,14)
InChIKeyWHBSHJKHGLNMHB-UHFFFAOYSA-N
XLogP0.81
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.18
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-fluoro-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl)-2-methylpropanoic acid
CID 82142784
2-methyl-2-[methyl-(1-methyl-6-oxopyridine-3-carbonyl)amino]propanoic acid
CID 119199937
2-(6-fluoro-2-methyl-3-oxo-1,4-benzoxazin-4-yl)-2-methylpropanoic acid
CID 82142781
2-acetyl-7-fluoroquinolizin-4-one
CID 118627550
2-[ethyl(methyl)amino]-2-(4-fluorophenyl)propanoic acid
CID 82238470
2-(4-fluorophenyl)-2-[methyl(propan-2-yl)amino]propanoic acid
CID 114994570
2-[2-(4-fluorophenyl)sulfanylethyl-methylamino]-2-methylpropanoic acid
CID 62821777
2,2,2-tris(4-fluorophenyl)acetic acid
CID 91545050
2-bromo-2-methylpropanoic acid
CID 159388254
2-amino-3-fluoro-2-(4-fluorophenyl)-3-methylbutanoic acid
CID 105486323
3-(4-fluorophenyl)-2-hydroxy-2-methylbutanoic acid
CID 79303766
2-[(4-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 45122380

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-oxo-1-pyridinyl)-2-methylpropanoic acid?
The IUPAC name of 2-(5-fluoro-2-oxo-1-pyridinyl)-2-methylpropanoic acid (CID 82146669) is 2-(5-fluoro-2-oxo-1-pyridinyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(5-fluoro-2-oxo-1-pyridinyl)-2-methylpropanoic acid?
The canonical SMILES for 2-(5-fluoro-2-oxo-1-pyridinyl)-2-methylpropanoic acid is CC(C)(C(=O)O)n1cc(F)ccc1=O.
What is the InChIKey of 2-(5-fluoro-2-oxo-1-pyridinyl)-2-methylpropanoic acid?
The InChIKey is WHBSHJKHGLNMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO3/c1-9(2,8(13)14)11-5-6(10)3-4-7(11)12/h3-5H,1-2H3,(H,13,14).
What are the key properties of 2-(5-fluoro-2-oxo-1-pyridinyl)-2-methylpropanoic acid?
2-(5-fluoro-2-oxo-1-pyridinyl)-2-methylpropanoic acid has a molecular weight of 199.18 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-oxo-1-pyridinyl)-2-methylpropanoic acid is sourced from PubChem (CID 82146669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).