3-fluoro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-4-carboxylic acid

C12H15FN2O4 — CID 105382525

IUPAC3-fluoro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-4-carboxylic acid
SMILESCC1COC(CO)CN1c1nccc(C(=O)O)c1F
InChIInChI=1S/C12H15FN2O4/c1-7-6-19-8(5-16)4-15(7)11-10(13)9(12(17)18)2-3-14-11/h2-3,7-8,16H,4-6H2,1H3,(H,17,18)
InChIKeyPQNAOXCYFKTELR-UHFFFAOYSA-N
MW270.26 g/mol
LogP0.50
Rot. Bonds3

About 3-fluoro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-4-carboxylic acid

3-fluoro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-4-carboxylic acid (PubChem CID 105382525) has the molecular formula C12H15FN2O4 and a molecular weight of 270.26 g/mol. Its IUPAC name is 3-fluoro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-4-carboxylic acid
PubChem CID105382525
Molecular FormulaC12H15FN2O4
Molecular Weight270.26 g/mol
Exact Mass270.10
IUPAC Name3-fluoro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-4-carboxylic acid
SMILESCC1COC(CO)CN1c1nccc(C(=O)O)c1F
InChIInChI=1S/C12H15FN2O4/c1-7-6-19-8(5-16)4-15(7)11-10(13)9(12(17)18)2-3-14-11/h2-3,7-8,16H,4-6H2,1H3,(H,17,18)
InChIKeyPQNAOXCYFKTELR-UHFFFAOYSA-N
XLogP0.50
TPSA82.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dimethylpyrrolidin-1-yl)-3-fluoropyridine-4-carboxylic acid
CID 105382715
3-fluoro-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-4-carboxylic acid
CID 102781599
3-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyridine-4-carboxylic acid
CID 105382742
2-(2,4-dimethyl-1,4-diazepan-1-yl)-3-fluoropyridine-4-carboxylic acid
CID 114086983
5-amino-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-3-carboxylic acid
CID 81439891
[4-[4-(aminomethyl)-3-chloro-2-pyridinyl]-5-methylmorpholin-2-yl]methanol
CID 107055699
2-amino-4-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzoic acid
CID 104500812
2-amino-3-fluoro-6-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzoic acid
CID 83207204
[4-(2-chloro-4-pyridinyl)-5-methylmorpholin-2-yl]methanol
CID 102824323
[5-methyl-4-[2-(methylamino)pyrimidin-4-yl]morpholin-2-yl]methanol
CID 81218201
[4-(7-methoxyisoquinolin-1-yl)-5-methylmorpholin-2-yl]methanol
CID 106541556
[2-(ethylamino)-3-fluoro-4-pyridinyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 105387018

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 3-fluoro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-4-carboxylic acid (CID 105382525) is 3-fluoro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-fluoro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 3-fluoro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-4-carboxylic acid is CC1COC(CO)CN1c1nccc(C(=O)O)c1F.
What is the InChIKey of 3-fluoro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-4-carboxylic acid?
The InChIKey is PQNAOXCYFKTELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O4/c1-7-6-19-8(5-16)4-15(7)11-10(13)9(12(17)18)2-3-14-11/h2-3,7-8,16H,4-6H2,1H3,(H,17,18).
What are the key properties of 3-fluoro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-4-carboxylic acid?
3-fluoro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-4-carboxylic acid has a molecular weight of 270.26 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 105382525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).