5-bromo-2-(diethylamino)pyridine-3-carboxylic acid

C10H13BrN2O2 — CID 59700072

IUPAC5-bromo-2-(diethylamino)pyridine-3-carboxylic acid
SMILESCCN(CC)c1ncc(Br)cc1C(=O)O
InChIInChI=1S/C10H13BrN2O2/c1-3-13(4-2)9-8(10(14)15)5-7(11)6-12-9/h5-6H,3-4H2,1-2H3,(H,14,15)
InChIKeyWOIGINIIETXYJT-UHFFFAOYSA-N
MW273.13 g/mol
LogP2.39
Rot. Bonds4

About 5-bromo-2-(diethylamino)pyridine-3-carboxylic acid

5-bromo-2-(diethylamino)pyridine-3-carboxylic acid (PubChem CID 59700072) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 5-bromo-2-(diethylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-(diethylamino)pyridine-3-carboxylic acid
PubChem CID59700072
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name5-bromo-2-(diethylamino)pyridine-3-carboxylic acid
SMILESCCN(CC)c1ncc(Br)cc1C(=O)O
InChIInChI=1S/C10H13BrN2O2/c1-3-13(4-2)9-8(10(14)15)5-7(11)6-12-9/h5-6H,3-4H2,1-2H3,(H,14,15)
InChIKeyWOIGINIIETXYJT-UHFFFAOYSA-N
XLogP2.39
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-[2-ethoxyethyl(ethyl)amino]pyridine-3-carboxylic acid
CID 63690941
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
5-bromo-2-[methyl(2,2,2-trifluoroethyl)amino]pyridine-3-carboxylic acid
CID 62000949
5-bromo-2-[ethyl(piperidin-4-yl)amino]pyridine-3-carboxylic acid
CID 62000578
5-bromo-2-[2-ethoxyethyl(methyl)amino]pyridine-3-carboxylic acid
CID 81055009
5-bromo-2-[2-cyanoethyl(2-methoxyethyl)amino]pyridine-3-carboxylic acid
CID 55170952
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-amino-2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]pyridine-3-carboxylic acid
CID 114047069
2-[ethyl-[2-(methylamino)-2-oxoethyl]amino]-5-fluoropyridine-3-carboxylic acid
CID 114034395
5-bromo-2-[2-[ethyl(methyl)amino]ethylamino]pyridine-3-carboxylic acid
CID 62634793

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(diethylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-2-(diethylamino)pyridine-3-carboxylic acid (CID 59700072) is 5-bromo-2-(diethylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-2-(diethylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-2-(diethylamino)pyridine-3-carboxylic acid is CCN(CC)c1ncc(Br)cc1C(=O)O.
What is the InChIKey of 5-bromo-2-(diethylamino)pyridine-3-carboxylic acid?
The InChIKey is WOIGINIIETXYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c1-3-13(4-2)9-8(10(14)15)5-7(11)6-12-9/h5-6H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 5-bromo-2-(diethylamino)pyridine-3-carboxylic acid?
5-bromo-2-(diethylamino)pyridine-3-carboxylic acid has a molecular weight of 273.13 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(diethylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 59700072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).