methyl 1-fluoro-6-oxopyridine-2-carboxylate

C7H6FNO3 — CID 150133625

IUPACmethyl 1-fluoro-6-oxopyridine-2-carboxylate
SMILESCOC(=O)c1cccc(=O)n1F
InChIInChI=1S/C7H6FNO3/c1-12-7(11)5-3-2-4-6(10)9(5)8/h2-4H,1H3
InChIKeyFBTRVMBGZNPHKI-UHFFFAOYSA-N
MW171.13 g/mol
LogP0.37
Rot. Bonds1

About methyl 1-fluoro-6-oxopyridine-2-carboxylate

methyl 1-fluoro-6-oxopyridine-2-carboxylate (PubChem CID 150133625) has the molecular formula C7H6FNO3 and a molecular weight of 171.13 g/mol. Its IUPAC name is methyl 1-fluoro-6-oxopyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-fluoro-6-oxopyridine-2-carboxylate
PubChem CID150133625
Molecular FormulaC7H6FNO3
Molecular Weight171.13 g/mol
Exact Mass171.03
IUPAC Namemethyl 1-fluoro-6-oxopyridine-2-carboxylate
SMILESCOC(=O)c1cccc(=O)n1F
InChIInChI=1S/C7H6FNO3/c1-12-7(11)5-3-2-4-6(10)9(5)8/h2-4H,1H3
InChIKeyFBTRVMBGZNPHKI-UHFFFAOYSA-N
XLogP0.37
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.13
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-fluoro-6-oxopyridine-2-carboxylate?
The IUPAC name of methyl 1-fluoro-6-oxopyridine-2-carboxylate (CID 150133625) is methyl 1-fluoro-6-oxopyridine-2-carboxylate.
What is the SMILES notation for methyl 1-fluoro-6-oxopyridine-2-carboxylate?
The canonical SMILES for methyl 1-fluoro-6-oxopyridine-2-carboxylate is COC(=O)c1cccc(=O)n1F.
What is the InChIKey of methyl 1-fluoro-6-oxopyridine-2-carboxylate?
The InChIKey is FBTRVMBGZNPHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNO3/c1-12-7(11)5-3-2-4-6(10)9(5)8/h2-4H,1H3.
What are the key properties of methyl 1-fluoro-6-oxopyridine-2-carboxylate?
methyl 1-fluoro-6-oxopyridine-2-carboxylate has a molecular weight of 171.13 g/mol, XLogP of 0.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-fluoro-6-oxopyridine-2-carboxylate is sourced from PubChem (CID 150133625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).