methyl 4-fluoro-6-oxo-1H-pyridine-2-carboxylate

C7H6FNO3 — CID 118599022

IUPACmethyl 4-fluoro-6-oxo-1H-pyridine-2-carboxylate
SMILESCOC(=O)c1cc(F)cc(=O)[nH]1
InChIInChI=1S/C7H6FNO3/c1-12-7(11)5-2-4(8)3-6(10)9-5/h2-3H,1H3,(H,9,10)
InChIKeyWEHDJHAWVJAVBG-UHFFFAOYSA-N
MW171.13 g/mol
LogP0.30
Rot. Bonds1

About methyl 4-fluoro-6-oxo-1H-pyridine-2-carboxylate

methyl 4-fluoro-6-oxo-1H-pyridine-2-carboxylate (PubChem CID 118599022) has the molecular formula C7H6FNO3 and a molecular weight of 171.13 g/mol. Its IUPAC name is methyl 4-fluoro-6-oxo-1H-pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-fluoro-6-oxo-1H-pyridine-2-carboxylate
PubChem CID118599022
Molecular FormulaC7H6FNO3
Molecular Weight171.13 g/mol
Exact Mass171.03
IUPAC Namemethyl 4-fluoro-6-oxo-1H-pyridine-2-carboxylate
SMILESCOC(=O)c1cc(F)cc(=O)[nH]1
InChIInChI=1S/C7H6FNO3/c1-12-7(11)5-2-4(8)3-6(10)9-5/h2-3H,1H3,(H,9,10)
InChIKeyWEHDJHAWVJAVBG-UHFFFAOYSA-N
XLogP0.30
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.13
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-fluoro-6-oxo-1H-pyridine-2-carboxylate?
The IUPAC name of methyl 4-fluoro-6-oxo-1H-pyridine-2-carboxylate (CID 118599022) is methyl 4-fluoro-6-oxo-1H-pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-fluoro-6-oxo-1H-pyridine-2-carboxylate?
The canonical SMILES for methyl 4-fluoro-6-oxo-1H-pyridine-2-carboxylate is COC(=O)c1cc(F)cc(=O)[nH]1.
What is the InChIKey of methyl 4-fluoro-6-oxo-1H-pyridine-2-carboxylate?
The InChIKey is WEHDJHAWVJAVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNO3/c1-12-7(11)5-2-4(8)3-6(10)9-5/h2-3H,1H3,(H,9,10).
What are the key properties of methyl 4-fluoro-6-oxo-1H-pyridine-2-carboxylate?
methyl 4-fluoro-6-oxo-1H-pyridine-2-carboxylate has a molecular weight of 171.13 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-fluoro-6-oxo-1H-pyridine-2-carboxylate is sourced from PubChem (CID 118599022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).