6-bromo-N-(3,4-dimethoxyphenyl)pyridin-2-amine

C13H13BrN2O2 — CID 63961087

IUPAC6-bromo-N-(3,4-dimethoxyphenyl)pyridin-2-amine
SMILESCOc1ccc(Nc2cccc(Br)n2)cc1OC
InChIInChI=1S/C13H13BrN2O2/c1-17-10-7-6-9(8-11(10)18-2)15-13-5-3-4-12(14)16-13/h3-8H,1-2H3,(H,15,16)
InChIKeyXFPGQTDORKAUPG-UHFFFAOYSA-N
MW309.16 g/mol
LogP3.60
Rot. Bonds4

About 6-bromo-N-(3,4-dimethoxyphenyl)pyridin-2-amine

6-bromo-N-(3,4-dimethoxyphenyl)pyridin-2-amine (PubChem CID 63961087) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is 6-bromo-N-(3,4-dimethoxyphenyl)pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-(3,4-dimethoxyphenyl)pyridin-2-amine
PubChem CID63961087
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name6-bromo-N-(3,4-dimethoxyphenyl)pyridin-2-amine
SMILESCOc1ccc(Nc2cccc(Br)n2)cc1OC
InChIInChI=1S/C13H13BrN2O2/c1-17-10-7-6-9(8-11(10)18-2)15-13-5-3-4-12(14)16-13/h3-8H,1-2H3,(H,15,16)
InChIKeyXFPGQTDORKAUPG-UHFFFAOYSA-N
XLogP3.60
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-bromo-N-(3,4-dimethoxyphenyl)pyridin-2-amine 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

6-bromo-N-(4-ethoxy-3-fluorophenyl)pyridin-2-amine
CID 113399791
6-bromo-N-(3-bromo-4-methylphenyl)pyridin-2-amine
CID 63961760
4-bromo-N-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 79400359
6-N-(3,4-dimethoxyphenyl)pyridine-2,3,6-triamine
CID 79823168
6-bromo-N-(4-propan-2-ylphenyl)pyridin-2-amine
CID 63962569
6-bromo-N-(3-ethoxyphenyl)pyridin-2-amine
CID 63961957
6-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)pyridin-2-amine
CID 63963848
2-N-(3-chlorophenyl)-4-N-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112903721
3-N-(3,4-dimethoxyphenyl)-5-N-(3-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967203
5-N-(3,4-dimethoxyphenyl)-3-N-(3-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967269
6-bromo-N-(4-phenoxyphenyl)pyridin-2-amine
CID 63960879
4-N-(2,6-difluorophenyl)-6-N-(3,4-dimethoxyphenyl)pyrimidine-4,6-diamine
CID 112866559

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3,4-dimethoxyphenyl)pyridin-2-amine?
The IUPAC name of 6-bromo-N-(3,4-dimethoxyphenyl)pyridin-2-amine (CID 63961087) is 6-bromo-N-(3,4-dimethoxyphenyl)pyridin-2-amine.
What is the SMILES notation for 6-bromo-N-(3,4-dimethoxyphenyl)pyridin-2-amine?
The canonical SMILES for 6-bromo-N-(3,4-dimethoxyphenyl)pyridin-2-amine is COc1ccc(Nc2cccc(Br)n2)cc1OC.
What is the InChIKey of 6-bromo-N-(3,4-dimethoxyphenyl)pyridin-2-amine?
The InChIKey is XFPGQTDORKAUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c1-17-10-7-6-9(8-11(10)18-2)15-13-5-3-4-12(14)16-13/h3-8H,1-2H3,(H,15,16).
What are the key properties of 6-bromo-N-(3,4-dimethoxyphenyl)pyridin-2-amine?
6-bromo-N-(3,4-dimethoxyphenyl)pyridin-2-amine has a molecular weight of 309.16 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3,4-dimethoxyphenyl)pyridin-2-amine is sourced from PubChem (CID 63961087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).