methyl 5-fluoro-6-(hydroxymethyl)pyridine-2-carboxylate

C8H8FNO3 — CID 130063891

IUPACmethyl 5-fluoro-6-(hydroxymethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(F)c(CO)n1
InChIInChI=1S/C8H8FNO3/c1-13-8(12)6-3-2-5(9)7(4-11)10-6/h2-3,11H,4H2,1H3
InChIKeyQOWGQZMKSDVRNH-UHFFFAOYSA-N
MW185.15 g/mol
LogP0.50
Rot. Bonds2

About methyl 5-fluoro-6-(hydroxymethyl)pyridine-2-carboxylate

methyl 5-fluoro-6-(hydroxymethyl)pyridine-2-carboxylate (PubChem CID 130063891) has the molecular formula C8H8FNO3 and a molecular weight of 185.15 g/mol. Its IUPAC name is methyl 5-fluoro-6-(hydroxymethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-fluoro-6-(hydroxymethyl)pyridine-2-carboxylate
PubChem CID130063891
Molecular FormulaC8H8FNO3
Molecular Weight185.15 g/mol
Exact Mass185.05
IUPAC Namemethyl 5-fluoro-6-(hydroxymethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(F)c(CO)n1
InChIInChI=1S/C8H8FNO3/c1-13-8(12)6-3-2-5(9)7(4-11)10-6/h2-3,11H,4H2,1H3
InChIKeyQOWGQZMKSDVRNH-UHFFFAOYSA-N
XLogP0.50
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.15
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-fluoro-6-(hydroxymethyl)pyridine-2-carboxylate?
The IUPAC name of methyl 5-fluoro-6-(hydroxymethyl)pyridine-2-carboxylate (CID 130063891) is methyl 5-fluoro-6-(hydroxymethyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-fluoro-6-(hydroxymethyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-fluoro-6-(hydroxymethyl)pyridine-2-carboxylate is COC(=O)c1ccc(F)c(CO)n1.
What is the InChIKey of methyl 5-fluoro-6-(hydroxymethyl)pyridine-2-carboxylate?
The InChIKey is QOWGQZMKSDVRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO3/c1-13-8(12)6-3-2-5(9)7(4-11)10-6/h2-3,11H,4H2,1H3.
What are the key properties of methyl 5-fluoro-6-(hydroxymethyl)pyridine-2-carboxylate?
methyl 5-fluoro-6-(hydroxymethyl)pyridine-2-carboxylate has a molecular weight of 185.15 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-fluoro-6-(hydroxymethyl)pyridine-2-carboxylate is sourced from PubChem (CID 130063891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).