2-[[(3,5-dibromo-2-pyridinyl)amino]methyl]-6-methoxyphenol

C13H12Br2N2O2 — CID 662389

IUPAC2-[[(3,5-dibromo-2-pyridinyl)amino]methyl]-6-methoxyphenol
SMILESCOc1cccc(CNc2ncc(Br)cc2Br)c1O
InChIInChI=1S/C13H12Br2N2O2/c1-19-11-4-2-3-8(12(11)18)6-16-13-10(15)5-9(14)7-17-13/h2-5,7,18H,6H2,1H3,(H,16,17)
InChIKeyKECAOEBSADERDC-UHFFFAOYSA-N
MW388.06 g/mol
LogP3.93
Rot. Bonds4

About 2-[[(3,5-dibromo-2-pyridinyl)amino]methyl]-6-methoxyphenol

2-[[(3,5-dibromo-2-pyridinyl)amino]methyl]-6-methoxyphenol (PubChem CID 662389) has the molecular formula C13H12Br2N2O2 and a molecular weight of 388.06 g/mol. Its IUPAC name is 2-[[(3,5-dibromo-2-pyridinyl)amino]methyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[[(3,5-dibromo-2-pyridinyl)amino]methyl]-6-methoxyphenol
PubChem CID662389
Molecular FormulaC13H12Br2N2O2
Molecular Weight388.06 g/mol
Exact Mass385.93
IUPAC Name2-[[(3,5-dibromo-2-pyridinyl)amino]methyl]-6-methoxyphenol
SMILESCOc1cccc(CNc2ncc(Br)cc2Br)c1O
InChIInChI=1S/C13H12Br2N2O2/c1-19-11-4-2-3-8(12(11)18)6-16-13-10(15)5-9(14)7-17-13/h2-5,7,18H,6H2,1H3,(H,16,17)
InChIKeyKECAOEBSADERDC-UHFFFAOYSA-N
XLogP3.93
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.06
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[[(3,5-dibromo-2-pyridinyl)amino]methyl]-6-methoxyphenol 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

2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-6-methoxyphenol
CID 133469932
3,5-dibromo-N-[(2-chlorophenyl)methyl]pyridin-2-amine
CID 12611962
2-[[(5-bromo-3-methylpyridin-1-ium-2-yl)amino]methyl]-6-methoxyphenol
CID 6920874
2-[(4-bromo-2-chloroanilino)methyl]-6-methoxyphenol
CID 43347281
2-[(5-bromo-2,4-difluoroanilino)methyl]-6-methoxyphenol
CID 102852747
2-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methoxyphenol
CID 43690589
2-[[[3-(hydroxymethyl)quinolin-2-yl]amino]methyl]-6-methoxyphenol
CID 133448200
4-bromo-2-[(2-hydroxy-3-methoxyphenyl)methylamino]benzonitrile
CID 107797479
3-bromo-5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-2-amine
CID 103292888
2-[(2-bromo-4-nitroanilino)methyl]-6-methoxyphenol
CID 43742335
N-(5-bromo-3-methyl-2-pyridinyl)-2-(2-methoxyphenyl)acetamide
CID 81489105
2-[[(5-bromo-4-methoxy-2-pyridinyl)amino]methyl]phenol
CID 75470151

Frequently Asked Questions

What is the IUPAC name of 2-[[(3,5-dibromo-2-pyridinyl)amino]methyl]-6-methoxyphenol?
The IUPAC name of 2-[[(3,5-dibromo-2-pyridinyl)amino]methyl]-6-methoxyphenol (CID 662389) is 2-[[(3,5-dibromo-2-pyridinyl)amino]methyl]-6-methoxyphenol.
What is the SMILES notation for 2-[[(3,5-dibromo-2-pyridinyl)amino]methyl]-6-methoxyphenol?
The canonical SMILES for 2-[[(3,5-dibromo-2-pyridinyl)amino]methyl]-6-methoxyphenol is COc1cccc(CNc2ncc(Br)cc2Br)c1O.
What is the InChIKey of 2-[[(3,5-dibromo-2-pyridinyl)amino]methyl]-6-methoxyphenol?
The InChIKey is KECAOEBSADERDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2N2O2/c1-19-11-4-2-3-8(12(11)18)6-16-13-10(15)5-9(14)7-17-13/h2-5,7,18H,6H2,1H3,(H,16,17).
What are the key properties of 2-[[(3,5-dibromo-2-pyridinyl)amino]methyl]-6-methoxyphenol?
2-[[(3,5-dibromo-2-pyridinyl)amino]methyl]-6-methoxyphenol has a molecular weight of 388.06 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3,5-dibromo-2-pyridinyl)amino]methyl]-6-methoxyphenol is sourced from PubChem (CID 662389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).