5-bromo-2-N-(2-ethoxyphenyl)pyridine-2,3-diamine

C13H14BrN3O — CID 61229826

IUPAC5-bromo-2-N-(2-ethoxyphenyl)pyridine-2,3-diamine
SMILESCCOc1ccccc1Nc1ncc(Br)cc1N
InChIInChI=1S/C13H14BrN3O/c1-2-18-12-6-4-3-5-11(12)17-13-10(15)7-9(14)8-16-13/h3-8H,2,15H2,1H3,(H,16,17)
InChIKeyBNUNQPGDZKCCIF-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.57
Rot. Bonds4

About 5-bromo-2-N-(2-ethoxyphenyl)pyridine-2,3-diamine

5-bromo-2-N-(2-ethoxyphenyl)pyridine-2,3-diamine (PubChem CID 61229826) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 5-bromo-2-N-(2-ethoxyphenyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name5-bromo-2-N-(2-ethoxyphenyl)pyridine-2,3-diamine
PubChem CID61229826
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name5-bromo-2-N-(2-ethoxyphenyl)pyridine-2,3-diamine
SMILESCCOc1ccccc1Nc1ncc(Br)cc1N
InChIInChI=1S/C13H14BrN3O/c1-2-18-12-6-4-3-5-11(12)17-13-10(15)7-9(14)8-16-13/h3-8H,2,15H2,1H3,(H,16,17)
InChIKeyBNUNQPGDZKCCIF-UHFFFAOYSA-N
XLogP3.57
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-2-N-(2-ethoxyphenyl)pyridine-2,3-diamine 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

4-bromo-2-N-(2-ethoxyphenyl)benzene-1,2-diamine
CID 65343297
3-chloro-2-N-(2-ethoxyphenyl)pyridine-2,5-diamine
CID 82486138
5-methyl-2-N-(2-propoxyphenyl)pyridine-2,3-diamine
CID 82059608
5-amino-2-(2-ethoxyanilino)pyridine-3-carbonitrile
CID 54938370
5-bromo-6-(2-ethoxyanilino)pyridine-3-carboxylic acid
CID 84611034
5-bromo-N-(2-ethoxyphenyl)-2-hydrazinylpyridine-3-carboxamide
CID 62236676
5-chloro-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine
CID 114049785
5-chloro-N-(2-ethoxyphenyl)-3-fluoropyridin-2-amine
CID 79727364
5-bromo-3-chloro-N-(2-methoxyphenyl)pyridin-2-amine
CID 103583055
4-N-(2-ethoxyphenyl)-5-propylpyrimidine-4,6-diamine
CID 80762856
4-N-(2-ethoxyphenyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80762592
4-N-(2-ethoxyphenyl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22545702

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-(2-ethoxyphenyl)pyridine-2,3-diamine?
The IUPAC name of 5-bromo-2-N-(2-ethoxyphenyl)pyridine-2,3-diamine (CID 61229826) is 5-bromo-2-N-(2-ethoxyphenyl)pyridine-2,3-diamine.
What is the SMILES notation for 5-bromo-2-N-(2-ethoxyphenyl)pyridine-2,3-diamine?
The canonical SMILES for 5-bromo-2-N-(2-ethoxyphenyl)pyridine-2,3-diamine is CCOc1ccccc1Nc1ncc(Br)cc1N.
What is the InChIKey of 5-bromo-2-N-(2-ethoxyphenyl)pyridine-2,3-diamine?
The InChIKey is BNUNQPGDZKCCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-2-18-12-6-4-3-5-11(12)17-13-10(15)7-9(14)8-16-13/h3-8H,2,15H2,1H3,(H,16,17).
What are the key properties of 5-bromo-2-N-(2-ethoxyphenyl)pyridine-2,3-diamine?
5-bromo-2-N-(2-ethoxyphenyl)pyridine-2,3-diamine has a molecular weight of 308.18 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-(2-ethoxyphenyl)pyridine-2,3-diamine is sourced from PubChem (CID 61229826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).