4-bromo-N-[(5-bromo-2-pyridinyl)methyl]-3-methoxyaniline

C13H12Br2N2O — CID 79479390

IUPAC4-bromo-N-[(5-bromo-2-pyridinyl)methyl]-3-methoxyaniline
SMILESCOc1cc(NCc2ccc(Br)cn2)ccc1Br
InChIInChI=1S/C13H12Br2N2O/c1-18-13-6-10(4-5-12(13)15)17-8-11-3-2-9(14)7-16-11/h2-7,17H,8H2,1H3
InChIKeyTWWSEQQNMFTNCV-UHFFFAOYSA-N
MW372.06 g/mol
LogP4.23
Rot. Bonds4

About 4-bromo-N-[(5-bromo-2-pyridinyl)methyl]-3-methoxyaniline

4-bromo-N-[(5-bromo-2-pyridinyl)methyl]-3-methoxyaniline (PubChem CID 79479390) has the molecular formula C13H12Br2N2O and a molecular weight of 372.06 g/mol. Its IUPAC name is 4-bromo-N-[(5-bromo-2-pyridinyl)methyl]-3-methoxyaniline.

Molecular Properties

Compound Name4-bromo-N-[(5-bromo-2-pyridinyl)methyl]-3-methoxyaniline
PubChem CID79479390
Molecular FormulaC13H12Br2N2O
Molecular Weight372.06 g/mol
Exact Mass369.93
IUPAC Name4-bromo-N-[(5-bromo-2-pyridinyl)methyl]-3-methoxyaniline
SMILESCOc1cc(NCc2ccc(Br)cn2)ccc1Br
InChIInChI=1S/C13H12Br2N2O/c1-18-13-6-10(4-5-12(13)15)17-8-11-3-2-9(14)7-16-11/h2-7,17H,8H2,1H3
InChIKeyTWWSEQQNMFTNCV-UHFFFAOYSA-N
XLogP4.23
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.06
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-N-[(5-bromo-2-pyridinyl)methyl]-3-methoxyaniline 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-N-[(5-bromo-2-pyridinyl)methyl]-3-nitroaniline
CID 79767441
4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-3-methoxyaniline
CID 82858279
4-fluoro-3-methoxy-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 114838475
4-bromo-N-[(3,5-dimethoxyphenyl)methyl]-3-methoxyaniline
CID 79480562
4-bromo-N-[(2-bromo-5-chlorophenyl)methyl]-3-methoxyaniline
CID 82857973
4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]-3-methoxyaniline
CID 71982518
4-bromo-3-methoxy-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 82857502
4-[(4-bromo-3-methoxyanilino)methyl]benzene-1,2,3-triol
CID 103952983
4-bromo-3-methoxy-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 79479165
N-[2-methoxy-4-[(5-methyl-2-pyridinyl)methylamino]phenyl]acetamide
CID 80711477
4-bromo-N-(isoquinolin-6-ylmethyl)-3-methoxyaniline
CID 107038810
2-[(4-bromo-3-methoxyanilino)methyl]-6-methylpyridin-3-ol
CID 79479389

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(5-bromo-2-pyridinyl)methyl]-3-methoxyaniline?
The IUPAC name of 4-bromo-N-[(5-bromo-2-pyridinyl)methyl]-3-methoxyaniline (CID 79479390) is 4-bromo-N-[(5-bromo-2-pyridinyl)methyl]-3-methoxyaniline.
What is the SMILES notation for 4-bromo-N-[(5-bromo-2-pyridinyl)methyl]-3-methoxyaniline?
The canonical SMILES for 4-bromo-N-[(5-bromo-2-pyridinyl)methyl]-3-methoxyaniline is COc1cc(NCc2ccc(Br)cn2)ccc1Br.
What is the InChIKey of 4-bromo-N-[(5-bromo-2-pyridinyl)methyl]-3-methoxyaniline?
The InChIKey is TWWSEQQNMFTNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2N2O/c1-18-13-6-10(4-5-12(13)15)17-8-11-3-2-9(14)7-16-11/h2-7,17H,8H2,1H3.
What are the key properties of 4-bromo-N-[(5-bromo-2-pyridinyl)methyl]-3-methoxyaniline?
4-bromo-N-[(5-bromo-2-pyridinyl)methyl]-3-methoxyaniline has a molecular weight of 372.06 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(5-bromo-2-pyridinyl)methyl]-3-methoxyaniline is sourced from PubChem (CID 79479390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).