5-bromo-2-[2-ethoxyethyl(methyl)amino]pyridine-3-carboxylic acid

C11H15BrN2O3 — CID 81055009

IUPAC5-bromo-2-[2-ethoxyethyl(methyl)amino]pyridine-3-carboxylic acid
SMILESCCOCCN(C)c1ncc(Br)cc1C(=O)O
InChIInChI=1S/C11H15BrN2O3/c1-3-17-5-4-14(2)10-9(11(15)16)6-8(12)7-13-10/h6-7H,3-5H2,1-2H3,(H,15,16)
InChIKeyJDSZEBNIKNJHHF-UHFFFAOYSA-N
MW303.16 g/mol
LogP2.02
Rot. Bonds6

About 5-bromo-2-[2-ethoxyethyl(methyl)amino]pyridine-3-carboxylic acid

5-bromo-2-[2-ethoxyethyl(methyl)amino]pyridine-3-carboxylic acid (PubChem CID 81055009) has the molecular formula C11H15BrN2O3 and a molecular weight of 303.16 g/mol. Its IUPAC name is 5-bromo-2-[2-ethoxyethyl(methyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-[2-ethoxyethyl(methyl)amino]pyridine-3-carboxylic acid
PubChem CID81055009
Molecular FormulaC11H15BrN2O3
Molecular Weight303.16 g/mol
Exact Mass302.03
IUPAC Name5-bromo-2-[2-ethoxyethyl(methyl)amino]pyridine-3-carboxylic acid
SMILESCCOCCN(C)c1ncc(Br)cc1C(=O)O
InChIInChI=1S/C11H15BrN2O3/c1-3-17-5-4-14(2)10-9(11(15)16)6-8(12)7-13-10/h6-7H,3-5H2,1-2H3,(H,15,16)
InChIKeyJDSZEBNIKNJHHF-UHFFFAOYSA-N
XLogP2.02
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-[2-ethoxyethyl(ethyl)amino]pyridine-3-carboxylic acid
CID 63690941
5-bromo-2-(diethylamino)pyridine-3-carboxylic acid
CID 59700072
5-bromo-2-[methyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid
CID 62000949
5-bromo-2-[methyl(2-methylbutan-2-yl)amino]pyridine-3-carboxylic acid
CID 63958295
2-amino-5-[2-ethoxyethyl(methyl)amino]benzoic acid
CID 81061457
5-bromo-2-[cyclopropyl(methyl)amino]pyridine-3-carboxylic acid
CID 62000742
5-bromo-2-[(5-chlorothiophen-2-yl)methyl-methylamino]pyridine-3-carboxylic acid
CID 62000773
5-bromo-2-[2-cyanoethyl(2-methoxyethyl)amino]pyridine-3-carboxylic acid
CID 55170952
5-fluoro-2-[methyl(2-propan-2-yloxyethyl)amino]pyridine-3-carboxylic acid
CID 114034507
ethyl 3-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]propanoate
CID 79718648
4-[2-ethoxyethyl(methyl)amino]quinazoline-7-carboxylic acid
CID 81055547
3-[bis(2-ethoxyethyl)amino]pyrazine-2-carboxylic acid
CID 82960478

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-ethoxyethyl(methyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-2-[2-ethoxyethyl(methyl)amino]pyridine-3-carboxylic acid (CID 81055009) is 5-bromo-2-[2-ethoxyethyl(methyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-2-[2-ethoxyethyl(methyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-2-[2-ethoxyethyl(methyl)amino]pyridine-3-carboxylic acid is CCOCCN(C)c1ncc(Br)cc1C(=O)O.
What is the InChIKey of 5-bromo-2-[2-ethoxyethyl(methyl)amino]pyridine-3-carboxylic acid?
The InChIKey is JDSZEBNIKNJHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O3/c1-3-17-5-4-14(2)10-9(11(15)16)6-8(12)7-13-10/h6-7H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 5-bromo-2-[2-ethoxyethyl(methyl)amino]pyridine-3-carboxylic acid?
5-bromo-2-[2-ethoxyethyl(methyl)amino]pyridine-3-carboxylic acid has a molecular weight of 303.16 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[2-ethoxyethyl(methyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 81055009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).