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

C12H17BrN2O3 — CID 63690941

IUPAC5-bromo-2-[2-ethoxyethyl(ethyl)amino]pyridine-3-carboxylic acid
SMILESCCOCCN(CC)c1ncc(Br)cc1C(=O)O
InChIInChI=1S/C12H17BrN2O3/c1-3-15(5-6-18-4-2)11-10(12(16)17)7-9(13)8-14-11/h7-8H,3-6H2,1-2H3,(H,16,17)
InChIKeyOWDIMDUJPWKMPP-UHFFFAOYSA-N
MW317.18 g/mol
LogP2.41
Rot. Bonds7

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

5-bromo-2-[2-ethoxyethyl(ethyl)amino]pyridine-3-carboxylic acid (PubChem CID 63690941) has the molecular formula C12H17BrN2O3 and a molecular weight of 317.18 g/mol. Its IUPAC name is 5-bromo-2-[2-ethoxyethyl(ethyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-[2-ethoxyethyl(ethyl)amino]pyridine-3-carboxylic acid
PubChem CID63690941
Molecular FormulaC12H17BrN2O3
Molecular Weight317.18 g/mol
Exact Mass316.04
IUPAC Name5-bromo-2-[2-ethoxyethyl(ethyl)amino]pyridine-3-carboxylic acid
SMILESCCOCCN(CC)c1ncc(Br)cc1C(=O)O
InChIInChI=1S/C12H17BrN2O3/c1-3-15(5-6-18-4-2)11-10(12(16)17)7-9(13)8-14-11/h7-8H,3-6H2,1-2H3,(H,16,17)
InChIKeyOWDIMDUJPWKMPP-UHFFFAOYSA-N
XLogP2.41
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 52.41
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(methyl)amino]pyridine-3-carboxylic acid
CID 81055009
5-bromo-2-(diethylamino)pyridine-3-carboxylic acid
CID 59700072
2-[2-ethoxyethyl(ethyl)amino]pyridine-3-carboxylic acid
CID 63690234
5-bromo-2-[2-cyanoethyl(2-methoxyethyl)amino]pyridine-3-carboxylic acid
CID 55170952
4-[2-ethoxyethyl(ethyl)amino]-6-methylpyridine-3-carboxylic acid
CID 81244374
5-bromo-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 62000205
5-bromo-2-[methyl(2-methylbutan-2-yl)amino]pyridine-3-carboxylic acid
CID 63958295
3-bromo-2-N,2-N-bis(2-ethoxyethyl)pyridine-2,5-diamine
CID 82965351
3-[bis(2-ethoxyethyl)amino]pyrazine-2-carboxylic acid
CID 82960478
5-bromo-2-(2-ethoxyethoxy)benzoic acid
CID 43387801
[6-[2-ethoxyethyl(ethyl)amino]-5-methyl-3-pyridinyl]methanol
CID 80629506
5-bromo-2-[methyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid
CID 62000949

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[2-ethoxyethyl(ethyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-2-[2-ethoxyethyl(ethyl)amino]pyridine-3-carboxylic acid (CID 63690941) is 5-bromo-2-[2-ethoxyethyl(ethyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-2-[2-ethoxyethyl(ethyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-2-[2-ethoxyethyl(ethyl)amino]pyridine-3-carboxylic acid is CCOCCN(CC)c1ncc(Br)cc1C(=O)O.
What is the InChIKey of 5-bromo-2-[2-ethoxyethyl(ethyl)amino]pyridine-3-carboxylic acid?
The InChIKey is OWDIMDUJPWKMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3/c1-3-15(5-6-18-4-2)11-10(12(16)17)7-9(13)8-14-11/h7-8H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 5-bromo-2-[2-ethoxyethyl(ethyl)amino]pyridine-3-carboxylic acid?
5-bromo-2-[2-ethoxyethyl(ethyl)amino]pyridine-3-carboxylic acid has a molecular weight of 317.18 g/mol, XLogP of 2.41, 7 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(ethyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63690941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).