4-bromo-6-[2-(hydroxymethyl)morpholin-4-yl]pyridine-3-carboxylic acid

C11H13BrN2O4 — CID 167856739

IUPAC4-bromo-6-[2-(hydroxymethyl)morpholin-4-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(N2CCOC(CO)C2)cc1Br
InChIInChI=1S/C11H13BrN2O4/c12-9-3-10(13-4-8(9)11(16)17)14-1-2-18-7(5-14)6-15/h3-4,7,15H,1-2,5-6H2,(H,16,17)
InChIKeyJSISJZBASULZRK-UHFFFAOYSA-N
MW317.14 g/mol
LogP0.74
Rot. Bonds3

About 4-bromo-6-[2-(hydroxymethyl)morpholin-4-yl]pyridine-3-carboxylic acid

4-bromo-6-[2-(hydroxymethyl)morpholin-4-yl]pyridine-3-carboxylic acid (PubChem CID 167856739) has the molecular formula C11H13BrN2O4 and a molecular weight of 317.14 g/mol. Its IUPAC name is 4-bromo-6-[2-(hydroxymethyl)morpholin-4-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-bromo-6-[2-(hydroxymethyl)morpholin-4-yl]pyridine-3-carboxylic acid
PubChem CID167856739
Molecular FormulaC11H13BrN2O4
Molecular Weight317.14 g/mol
Exact Mass316.01
IUPAC Name4-bromo-6-[2-(hydroxymethyl)morpholin-4-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(N2CCOC(CO)C2)cc1Br
InChIInChI=1S/C11H13BrN2O4/c12-9-3-10(13-4-8(9)11(16)17)14-1-2-18-7(5-14)6-15/h3-4,7,15H,1-2,5-6H2,(H,16,17)
InChIKeyJSISJZBASULZRK-UHFFFAOYSA-N
XLogP0.74
TPSA82.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.14
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(5-bromopyrazin-2-yl)morpholin-2-yl]methanol
CID 130540472
[4-(3-bromo-5-methyl-2-pyridinyl)morpholin-2-yl]methanol
CID 105367532
6-[2-(hydroxymethyl)morpholin-4-yl]pyridine-3-carboxamide
CID 79839721
2-amino-4-[2-(hydroxymethyl)morpholin-4-yl]benzoic acid
CID 104500811
[4-(6-methylsulfanylpyrimidin-4-yl)morpholin-2-yl]methanol
CID 106973462
[4-(5-methoxy-2-pyridinyl)morpholin-2-yl]methanol
CID 106504669
2-amino-4-fluoro-5-[2-(hydroxymethyl)morpholin-4-yl]benzoic acid
CID 81219671
2-[2-(hydroxymethyl)morpholin-4-yl]-5-sulfamoylbenzoic acid
CID 81195386
[4-(2,6-diaminopyrimidin-4-yl)morpholin-2-yl]methanol
CID 81217236
5-[2-(hydroxymethyl)morpholin-4-yl]pyrazine-2-carbothioamide
CID 81203585
[4-[4-[(1R)-1-aminoethyl]-2-pyridinyl]morpholin-2-yl]methanol
CID 81205057
2-[4-(5-methyl-2-pyridinyl)morpholin-2-yl]acetic acid
CID 66433835

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-[2-(hydroxymethyl)morpholin-4-yl]pyridine-3-carboxylic acid?
The IUPAC name of 4-bromo-6-[2-(hydroxymethyl)morpholin-4-yl]pyridine-3-carboxylic acid (CID 167856739) is 4-bromo-6-[2-(hydroxymethyl)morpholin-4-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-bromo-6-[2-(hydroxymethyl)morpholin-4-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 4-bromo-6-[2-(hydroxymethyl)morpholin-4-yl]pyridine-3-carboxylic acid is O=C(O)c1cnc(N2CCOC(CO)C2)cc1Br.
What is the InChIKey of 4-bromo-6-[2-(hydroxymethyl)morpholin-4-yl]pyridine-3-carboxylic acid?
The InChIKey is JSISJZBASULZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O4/c12-9-3-10(13-4-8(9)11(16)17)14-1-2-18-7(5-14)6-15/h3-4,7,15H,1-2,5-6H2,(H,16,17).
What are the key properties of 4-bromo-6-[2-(hydroxymethyl)morpholin-4-yl]pyridine-3-carboxylic acid?
4-bromo-6-[2-(hydroxymethyl)morpholin-4-yl]pyridine-3-carboxylic acid has a molecular weight of 317.14 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-[2-(hydroxymethyl)morpholin-4-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 167856739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).