5-bromo-2-[(2-ethyloxolan-3-yl)methylamino]pyridine-3-carboxylic acid

C13H17BrN2O3 — CID 114106055

IUPAC5-bromo-2-[(2-ethyloxolan-3-yl)methylamino]pyridine-3-carboxylic acid
SMILESCCC1OCCC1CNc1ncc(Br)cc1C(=O)O
InChIInChI=1S/C13H17BrN2O3/c1-2-11-8(3-4-19-11)6-15-12-10(13(17)18)5-9(14)7-16-12/h5,7-8,11H,2-4,6H2,1H3,(H,15,16)(H,17,18)
InChIKeyHPCPHMGFMTWRTH-UHFFFAOYSA-N
MW329.19 g/mol
LogP2.77
Rot. Bonds5

About 5-bromo-2-[(2-ethyloxolan-3-yl)methylamino]pyridine-3-carboxylic acid

5-bromo-2-[(2-ethyloxolan-3-yl)methylamino]pyridine-3-carboxylic acid (PubChem CID 114106055) has the molecular formula C13H17BrN2O3 and a molecular weight of 329.19 g/mol. Its IUPAC name is 5-bromo-2-[(2-ethyloxolan-3-yl)methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-[(2-ethyloxolan-3-yl)methylamino]pyridine-3-carboxylic acid
PubChem CID114106055
Molecular FormulaC13H17BrN2O3
Molecular Weight329.19 g/mol
Exact Mass328.04
IUPAC Name5-bromo-2-[(2-ethyloxolan-3-yl)methylamino]pyridine-3-carboxylic acid
SMILESCCC1OCCC1CNc1ncc(Br)cc1C(=O)O
InChIInChI=1S/C13H17BrN2O3/c1-2-11-8(3-4-19-11)6-15-12-10(13(17)18)5-9(14)7-16-12/h5,7-8,11H,2-4,6H2,1H3,(H,15,16)(H,17,18)
InChIKeyHPCPHMGFMTWRTH-UHFFFAOYSA-N
XLogP2.77
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2-ethyloxolan-3-yl)methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-2-[(2-ethyloxolan-3-yl)methylamino]pyridine-3-carboxylic acid (CID 114106055) is 5-bromo-2-[(2-ethyloxolan-3-yl)methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-2-[(2-ethyloxolan-3-yl)methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-2-[(2-ethyloxolan-3-yl)methylamino]pyridine-3-carboxylic acid is CCC1OCCC1CNc1ncc(Br)cc1C(=O)O.
What is the InChIKey of 5-bromo-2-[(2-ethyloxolan-3-yl)methylamino]pyridine-3-carboxylic acid?
The InChIKey is HPCPHMGFMTWRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O3/c1-2-11-8(3-4-19-11)6-15-12-10(13(17)18)5-9(14)7-16-12/h5,7-8,11H,2-4,6H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-bromo-2-[(2-ethyloxolan-3-yl)methylamino]pyridine-3-carboxylic acid?
5-bromo-2-[(2-ethyloxolan-3-yl)methylamino]pyridine-3-carboxylic acid has a molecular weight of 329.19 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2-ethyloxolan-3-yl)methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 114106055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).