2-[3-(hydroxymethyl)morpholin-4-yl]pyridine-3-carboxylic acid

C11H14N2O4 — CID 83842677

IUPAC2-[3-(hydroxymethyl)morpholin-4-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1N1CCOCC1CO
InChIInChI=1S/C11H14N2O4/c14-6-8-7-17-5-4-13(8)10-9(11(15)16)2-1-3-12-10/h1-3,8,14H,4-7H2,(H,15,16)
InChIKeyBOUXNEODQWISGJ-UHFFFAOYSA-N
MW238.24 g/mol
LogP-0.02
Rot. Bonds3

About 2-[3-(hydroxymethyl)morpholin-4-yl]pyridine-3-carboxylic acid

2-[3-(hydroxymethyl)morpholin-4-yl]pyridine-3-carboxylic acid (PubChem CID 83842677) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)morpholin-4-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)morpholin-4-yl]pyridine-3-carboxylic acid
PubChem CID83842677
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-[3-(hydroxymethyl)morpholin-4-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1N1CCOCC1CO
InChIInChI=1S/C11H14N2O4/c14-6-8-7-17-5-4-13(8)10-9(11(15)16)2-1-3-12-10/h1-3,8,14H,4-7H2,(H,15,16)
InChIKeyBOUXNEODQWISGJ-UHFFFAOYSA-N
XLogP-0.02
TPSA82.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)morpholin-4-yl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[3-(hydroxymethyl)morpholin-4-yl]pyridine-3-carboxylic acid (CID 83842677) is 2-[3-(hydroxymethyl)morpholin-4-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[3-(hydroxymethyl)morpholin-4-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[3-(hydroxymethyl)morpholin-4-yl]pyridine-3-carboxylic acid is O=C(O)c1cccnc1N1CCOCC1CO.
What is the InChIKey of 2-[3-(hydroxymethyl)morpholin-4-yl]pyridine-3-carboxylic acid?
The InChIKey is BOUXNEODQWISGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c14-6-8-7-17-5-4-13(8)10-9(11(15)16)2-1-3-12-10/h1-3,8,14H,4-7H2,(H,15,16).
What are the key properties of 2-[3-(hydroxymethyl)morpholin-4-yl]pyridine-3-carboxylic acid?
2-[3-(hydroxymethyl)morpholin-4-yl]pyridine-3-carboxylic acid has a molecular weight of 238.24 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)morpholin-4-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 83842677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).