6-[benzyl(ethyl)amino]-5-bromopyridine-3-carboxylic acid

C15H15BrN2O2 — CID 84610251

IUPAC6-[benzyl(ethyl)amino]-5-bromopyridine-3-carboxylic acid
SMILESCCN(Cc1ccccc1)c1ncc(C(=O)O)cc1Br
InChIInChI=1S/C15H15BrN2O2/c1-2-18(10-11-6-4-3-5-7-11)14-13(16)8-12(9-17-14)15(19)20/h3-9H,2,10H2,1H3,(H,19,20)
InChIKeyAMIKELUJYPBABB-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.57
Rot. Bonds5

About 6-[benzyl(ethyl)amino]-5-bromopyridine-3-carboxylic acid

6-[benzyl(ethyl)amino]-5-bromopyridine-3-carboxylic acid (PubChem CID 84610251) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 6-[benzyl(ethyl)amino]-5-bromopyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[benzyl(ethyl)amino]-5-bromopyridine-3-carboxylic acid
PubChem CID84610251
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name6-[benzyl(ethyl)amino]-5-bromopyridine-3-carboxylic acid
SMILESCCN(Cc1ccccc1)c1ncc(C(=O)O)cc1Br
InChIInChI=1S/C15H15BrN2O2/c1-2-18(10-11-6-4-3-5-7-11)14-13(16)8-12(9-17-14)15(19)20/h3-9H,2,10H2,1H3,(H,19,20)
InChIKeyAMIKELUJYPBABB-UHFFFAOYSA-N
XLogP3.57
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[benzyl(methyl)amino]-5-bromopyridine-3-carboxylic acid
CID 84604433
N-benzyl-3-bromo-5-chloro-N-ethylpyridin-2-amine
CID 114836690
2-N-benzyl-3-bromo-2-N-ethylpyridine-2,5-diamine
CID 79532190
5-acetamido-2-[benzyl(ethyl)amino]pyridine-3-carboxylic acid
CID 53093967
5-amino-6-[ethyl(pyridin-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 81439693
2-N-benzyl-3-bromo-2-N-propylpyridine-2,5-diamine
CID 79531545
6-[benzyl-(2-ethoxy-2-oxoethyl)amino]-5-nitropyridine-3-carboxylic acid
CID 58324474
2-N-benzyl-2-N-ethyl-3-methylpyridine-2,5-diamine
CID 55080686
6-(dibenzylamino)pyridazine-4-carboxylic acid
CID 131034527
4-N-benzyl-5-bromo-4-N-ethylpyridine-2,4-diamine
CID 131227921
5-bromo-2-(diethylamino)pyridine-3-carboxylic acid
CID 59700072
[2-[benzyl(ethyl)amino]pyrimidin-5-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109258457

Frequently Asked Questions

What is the IUPAC name of 6-[benzyl(ethyl)amino]-5-bromopyridine-3-carboxylic acid?
The IUPAC name of 6-[benzyl(ethyl)amino]-5-bromopyridine-3-carboxylic acid (CID 84610251) is 6-[benzyl(ethyl)amino]-5-bromopyridine-3-carboxylic acid.
What is the SMILES notation for 6-[benzyl(ethyl)amino]-5-bromopyridine-3-carboxylic acid?
The canonical SMILES for 6-[benzyl(ethyl)amino]-5-bromopyridine-3-carboxylic acid is CCN(Cc1ccccc1)c1ncc(C(=O)O)cc1Br.
What is the InChIKey of 6-[benzyl(ethyl)amino]-5-bromopyridine-3-carboxylic acid?
The InChIKey is AMIKELUJYPBABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-2-18(10-11-6-4-3-5-7-11)14-13(16)8-12(9-17-14)15(19)20/h3-9H,2,10H2,1H3,(H,19,20).
What are the key properties of 6-[benzyl(ethyl)amino]-5-bromopyridine-3-carboxylic acid?
6-[benzyl(ethyl)amino]-5-bromopyridine-3-carboxylic acid has a molecular weight of 335.20 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[benzyl(ethyl)amino]-5-bromopyridine-3-carboxylic acid is sourced from PubChem (CID 84610251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).