3-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-4-carboxylic acid

C13H17FN2O4 — CID 105382742

IUPAC3-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-4-carboxylic acid
SMILESCC1(C)CN(c2nccc(C(=O)O)c2F)CC(CO)O1
InChIInChI=1S/C13H17FN2O4/c1-13(2)7-16(5-8(6-17)20-13)11-10(14)9(12(18)19)3-4-15-11/h3-4,8,17H,5-7H2,1-2H3,(H,18,19)
InChIKeySVBRQJFTLGYUNY-UHFFFAOYSA-N
MW284.29 g/mol
LogP0.89
Rot. Bonds3

About 3-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-4-carboxylic acid

3-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-4-carboxylic acid (PubChem CID 105382742) has the molecular formula C13H17FN2O4 and a molecular weight of 284.29 g/mol. Its IUPAC name is 3-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-4-carboxylic acid
PubChem CID105382742
Molecular FormulaC13H17FN2O4
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC Name3-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-4-carboxylic acid
SMILESCC1(C)CN(c2nccc(C(=O)O)c2F)CC(CO)O1
InChIInChI=1S/C13H17FN2O4/c1-13(2)7-16(5-8(6-17)20-13)11-10(14)9(12(18)19)3-4-15-11/h3-4,8,17H,5-7H2,1-2H3,(H,18,19)
InChIKeySVBRQJFTLGYUNY-UHFFFAOYSA-N
XLogP0.89
TPSA82.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 3-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-4-carboxylic acid (CID 105382742) is 3-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 3-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-4-carboxylic acid is CC1(C)CN(c2nccc(C(=O)O)c2F)CC(CO)O1.
What is the InChIKey of 3-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-4-carboxylic acid?
The InChIKey is SVBRQJFTLGYUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O4/c1-13(2)7-16(5-8(6-17)20-13)11-10(14)9(12(18)19)3-4-15-11/h3-4,8,17H,5-7H2,1-2H3,(H,18,19).
What are the key properties of 3-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-4-carboxylic acid?
3-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-4-carboxylic acid has a molecular weight of 284.29 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 105382742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).