3-bromo-5-[ethyl(pyridin-2-ylmethyl)amino]benzoic acid

C15H15BrN2O2 — CID 102823195

IUPAC3-bromo-5-[ethyl(pyridin-2-ylmethyl)amino]benzoic acid
SMILESCCN(Cc1ccccn1)c1cc(Br)cc(C(=O)O)c1
InChIInChI=1S/C15H15BrN2O2/c1-2-18(10-13-5-3-4-6-17-13)14-8-11(15(19)20)7-12(16)9-14/h3-9H,2,10H2,1H3,(H,19,20)
InChIKeyBNSCNDPWWNVHRZ-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.57
Rot. Bonds5

About 3-bromo-5-[ethyl(pyridin-2-ylmethyl)amino]benzoic acid

3-bromo-5-[ethyl(pyridin-2-ylmethyl)amino]benzoic acid (PubChem CID 102823195) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 3-bromo-5-[ethyl(pyridin-2-ylmethyl)amino]benzoic acid.

Molecular Properties

Compound Name3-bromo-5-[ethyl(pyridin-2-ylmethyl)amino]benzoic acid
PubChem CID102823195
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name3-bromo-5-[ethyl(pyridin-2-ylmethyl)amino]benzoic acid
SMILESCCN(Cc1ccccn1)c1cc(Br)cc(C(=O)O)c1
InChIInChI=1S/C15H15BrN2O2/c1-2-18(10-13-5-3-4-6-17-13)14-8-11(15(19)20)7-12(16)9-14/h3-9H,2,10H2,1H3,(H,19,20)
InChIKeyBNSCNDPWWNVHRZ-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

Analyze 3-bromo-5-[ethyl(pyridin-2-ylmethyl)amino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridin-3-amine
CID 104531868
1-[5-bromo-2-[ethyl(pyridin-2-ylmethyl)amino]phenyl]ethanone
CID 82966670
5-amino-6-[ethyl(pyridin-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 81439693
2-chloro-N-ethyl-N-(pyridin-2-ylmethyl)pyridin-4-amine
CID 102809534
2-[ethyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-4-carboxylic acid
CID 80569601
3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]benzoic acid
CID 102823192
3-bromo-4-[ethyl(pyridin-2-ylmethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 82786091
3-bromo-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid
CID 4112319
1-[2-[ethyl(pyridin-2-ylmethyl)amino]-3-pyridinyl]ethanone
CID 114055599
2-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 103755974
N-ethyl-4,6-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 133404102
4-bromo-N-ethyl-2-[1-(methylamino)ethyl]-N-(pyridin-2-ylmethyl)aniline
CID 82953898

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[ethyl(pyridin-2-ylmethyl)amino]benzoic acid?
The IUPAC name of 3-bromo-5-[ethyl(pyridin-2-ylmethyl)amino]benzoic acid (CID 102823195) is 3-bromo-5-[ethyl(pyridin-2-ylmethyl)amino]benzoic acid.
What is the SMILES notation for 3-bromo-5-[ethyl(pyridin-2-ylmethyl)amino]benzoic acid?
The canonical SMILES for 3-bromo-5-[ethyl(pyridin-2-ylmethyl)amino]benzoic acid is CCN(Cc1ccccn1)c1cc(Br)cc(C(=O)O)c1.
What is the InChIKey of 3-bromo-5-[ethyl(pyridin-2-ylmethyl)amino]benzoic acid?
The InChIKey is BNSCNDPWWNVHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-2-18(10-13-5-3-4-6-17-13)14-8-11(15(19)20)7-12(16)9-14/h3-9H,2,10H2,1H3,(H,19,20).
What are the key properties of 3-bromo-5-[ethyl(pyridin-2-ylmethyl)amino]benzoic acid?
3-bromo-5-[ethyl(pyridin-2-ylmethyl)amino]benzoic 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 3-bromo-5-[ethyl(pyridin-2-ylmethyl)amino]benzoic acid is sourced from PubChem (CID 102823195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).