3-bromo-5-chloro-N-(2,4-dimethoxyphenyl)pyridin-2-amine

C13H12BrClN2O2 — CID 114836602

IUPAC3-bromo-5-chloro-N-(2,4-dimethoxyphenyl)pyridin-2-amine
SMILESCOc1ccc(Nc2ncc(Cl)cc2Br)c(OC)c1
InChIInChI=1S/C13H12BrClN2O2/c1-18-9-3-4-11(12(6-9)19-2)17-13-10(14)5-8(15)7-16-13/h3-7H,1-2H3,(H,16,17)
InChIKeyAYVBPXSUTPVUGS-UHFFFAOYSA-N
MW343.61 g/mol
LogP4.26
Rot. Bonds4

About 3-bromo-5-chloro-N-(2,4-dimethoxyphenyl)pyridin-2-amine

3-bromo-5-chloro-N-(2,4-dimethoxyphenyl)pyridin-2-amine (PubChem CID 114836602) has the molecular formula C13H12BrClN2O2 and a molecular weight of 343.61 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(2,4-dimethoxyphenyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(2,4-dimethoxyphenyl)pyridin-2-amine
PubChem CID114836602
Molecular FormulaC13H12BrClN2O2
Molecular Weight343.61 g/mol
Exact Mass341.98
IUPAC Name3-bromo-5-chloro-N-(2,4-dimethoxyphenyl)pyridin-2-amine
SMILESCOc1ccc(Nc2ncc(Cl)cc2Br)c(OC)c1
InChIInChI=1S/C13H12BrClN2O2/c1-18-9-3-4-11(12(6-9)19-2)17-13-10(14)5-8(15)7-16-13/h3-7H,1-2H3,(H,16,17)
InChIKeyAYVBPXSUTPVUGS-UHFFFAOYSA-N
XLogP4.26
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.61
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-bromo-5-chloro-N-(2,4-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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(2,4-dimethoxyphenyl)pyridin-2-amine?
The IUPAC name of 3-bromo-5-chloro-N-(2,4-dimethoxyphenyl)pyridin-2-amine (CID 114836602) is 3-bromo-5-chloro-N-(2,4-dimethoxyphenyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-chloro-N-(2,4-dimethoxyphenyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-5-chloro-N-(2,4-dimethoxyphenyl)pyridin-2-amine is COc1ccc(Nc2ncc(Cl)cc2Br)c(OC)c1.
What is the InChIKey of 3-bromo-5-chloro-N-(2,4-dimethoxyphenyl)pyridin-2-amine?
The InChIKey is AYVBPXSUTPVUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O2/c1-18-9-3-4-11(12(6-9)19-2)17-13-10(14)5-8(15)7-16-13/h3-7H,1-2H3,(H,16,17).
What are the key properties of 3-bromo-5-chloro-N-(2,4-dimethoxyphenyl)pyridin-2-amine?
3-bromo-5-chloro-N-(2,4-dimethoxyphenyl)pyridin-2-amine has a molecular weight of 343.61 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-(2,4-dimethoxyphenyl)pyridin-2-amine is sourced from PubChem (CID 114836602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).