methyl 3-fluoro-6-oxo-3H-pyridine-4-carboxylate

C7H6FNO3 — CID 156595255

IUPACmethyl 3-fluoro-6-oxo-3H-pyridine-4-carboxylate
SMILESCOC(=O)C1=CC(=O)N=CC1F
InChIInChI=1S/C7H6FNO3/c1-12-7(11)4-2-6(10)9-3-5(4)8/h2-3,5H,1H3
InChIKeyNLCDQVMWPXWHQV-UHFFFAOYSA-N
MW171.13 g/mol
LogP0.03
Rot. Bonds1

About methyl 3-fluoro-6-oxo-3H-pyridine-4-carboxylate

methyl 3-fluoro-6-oxo-3H-pyridine-4-carboxylate (PubChem CID 156595255) has the molecular formula C7H6FNO3 and a molecular weight of 171.13 g/mol. Its IUPAC name is methyl 3-fluoro-6-oxo-3H-pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-fluoro-6-oxo-3H-pyridine-4-carboxylate
PubChem CID156595255
Molecular FormulaC7H6FNO3
Molecular Weight171.13 g/mol
Exact Mass171.03
IUPAC Namemethyl 3-fluoro-6-oxo-3H-pyridine-4-carboxylate
SMILESCOC(=O)C1=CC(=O)N=CC1F
InChIInChI=1S/C7H6FNO3/c1-12-7(11)4-2-6(10)9-3-5(4)8/h2-3,5H,1H3
InChIKeyNLCDQVMWPXWHQV-UHFFFAOYSA-N
XLogP0.03
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.13
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-6-oxo-3H-pyridine-4-carboxylate?
The IUPAC name of methyl 3-fluoro-6-oxo-3H-pyridine-4-carboxylate (CID 156595255) is methyl 3-fluoro-6-oxo-3H-pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-fluoro-6-oxo-3H-pyridine-4-carboxylate?
The canonical SMILES for methyl 3-fluoro-6-oxo-3H-pyridine-4-carboxylate is COC(=O)C1=CC(=O)N=CC1F.
What is the InChIKey of methyl 3-fluoro-6-oxo-3H-pyridine-4-carboxylate?
The InChIKey is NLCDQVMWPXWHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNO3/c1-12-7(11)4-2-6(10)9-3-5(4)8/h2-3,5H,1H3.
What are the key properties of methyl 3-fluoro-6-oxo-3H-pyridine-4-carboxylate?
methyl 3-fluoro-6-oxo-3H-pyridine-4-carboxylate has a molecular weight of 171.13 g/mol, XLogP of 0.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-6-oxo-3H-pyridine-4-carboxylate is sourced from PubChem (CID 156595255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).