propan-2-yl 5-fluoro-2-oxo-1H-pyridine-3-carboxylate

C9H10FNO3 — CID 133061709

IUPACpropan-2-yl 5-fluoro-2-oxo-1H-pyridine-3-carboxylate
SMILESCC(C)OC(=O)c1cc(F)c[nH]c1=O
InChIInChI=1S/C9H10FNO3/c1-5(2)14-9(13)7-3-6(10)4-11-8(7)12/h3-5H,1-2H3,(H,11,12)
InChIKeyGPWKDKVTGWRBJT-UHFFFAOYSA-N
MW199.18 g/mol
LogP1.08
Rot. Bonds2

About propan-2-yl 5-fluoro-2-oxo-1H-pyridine-3-carboxylate

propan-2-yl 5-fluoro-2-oxo-1H-pyridine-3-carboxylate (PubChem CID 133061709) has the molecular formula C9H10FNO3 and a molecular weight of 199.18 g/mol. Its IUPAC name is propan-2-yl 5-fluoro-2-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-fluoro-2-oxo-1H-pyridine-3-carboxylate
PubChem CID133061709
Molecular FormulaC9H10FNO3
Molecular Weight199.18 g/mol
Exact Mass199.06
IUPAC Namepropan-2-yl 5-fluoro-2-oxo-1H-pyridine-3-carboxylate
SMILESCC(C)OC(=O)c1cc(F)c[nH]c1=O
InChIInChI=1S/C9H10FNO3/c1-5(2)14-9(13)7-3-6(10)4-11-8(7)12/h3-5H,1-2H3,(H,11,12)
InChIKeyGPWKDKVTGWRBJT-UHFFFAOYSA-N
XLogP1.08
TPSA59.16 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 ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-fluoro-2-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of propan-2-yl 5-fluoro-2-oxo-1H-pyridine-3-carboxylate (CID 133061709) is propan-2-yl 5-fluoro-2-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for propan-2-yl 5-fluoro-2-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for propan-2-yl 5-fluoro-2-oxo-1H-pyridine-3-carboxylate is CC(C)OC(=O)c1cc(F)c[nH]c1=O.
What is the InChIKey of propan-2-yl 5-fluoro-2-oxo-1H-pyridine-3-carboxylate?
The InChIKey is GPWKDKVTGWRBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO3/c1-5(2)14-9(13)7-3-6(10)4-11-8(7)12/h3-5H,1-2H3,(H,11,12).
What are the key properties of propan-2-yl 5-fluoro-2-oxo-1H-pyridine-3-carboxylate?
propan-2-yl 5-fluoro-2-oxo-1H-pyridine-3-carboxylate has a molecular weight of 199.18 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-fluoro-2-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 133061709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).