2-bromo-6-[[(6-bromo-2-methyl-3-pyridinyl)amino]methyl]phenol

C13H12Br2N2O — CID 104599949

IUPAC2-bromo-6-[[(6-bromo-2-methyl-3-pyridinyl)amino]methyl]phenol
SMILESCc1nc(Br)ccc1NCc1cccc(Br)c1O
InChIInChI=1S/C13H12Br2N2O/c1-8-11(5-6-12(15)17-8)16-7-9-3-2-4-10(14)13(9)18/h2-6,16,18H,7H2,1H3
InChIKeyCTBUGLNWLPMOHR-UHFFFAOYSA-N
MW372.06 g/mol
LogP4.23
Rot. Bonds3

About 2-bromo-6-[[(6-bromo-2-methyl-3-pyridinyl)amino]methyl]phenol

2-bromo-6-[[(6-bromo-2-methyl-3-pyridinyl)amino]methyl]phenol (PubChem CID 104599949) has the molecular formula C13H12Br2N2O and a molecular weight of 372.06 g/mol. Its IUPAC name is 2-bromo-6-[[(6-bromo-2-methyl-3-pyridinyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-bromo-6-[[(6-bromo-2-methyl-3-pyridinyl)amino]methyl]phenol
PubChem CID104599949
Molecular FormulaC13H12Br2N2O
Molecular Weight372.06 g/mol
Exact Mass369.93
IUPAC Name2-bromo-6-[[(6-bromo-2-methyl-3-pyridinyl)amino]methyl]phenol
SMILESCc1nc(Br)ccc1NCc1cccc(Br)c1O
InChIInChI=1S/C13H12Br2N2O/c1-8-11(5-6-12(15)17-8)16-7-9-3-2-4-10(14)13(9)18/h2-6,16,18H,7H2,1H3
InChIKeyCTBUGLNWLPMOHR-UHFFFAOYSA-N
XLogP4.23
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.06
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-[(3-bromo-2-hydroxyphenyl)methylamino]-2,6-dimethylphenol
CID 61391803
2-bromo-6-[(4-bromo-2-methylanilino)methyl]phenol
CID 61390276
2-bromo-6-[(2,5-dimethylanilino)methyl]phenol
CID 61390137
2-chloro-6-[[(2,6-dimethyl-3-pyridinyl)amino]methyl]phenol
CID 112555002
2-bromo-6-[(2-propan-2-ylanilino)methyl]phenol
CID 61390242
2-bromo-6-[(3-iodo-2-methylanilino)methyl]phenol
CID 114256858
2-bromo-6-[[(2-chloro-3-pyridinyl)amino]methyl]phenol
CID 61390833
2-bromo-6-[(2-fluoro-5-methylanilino)methyl]phenol
CID 61390509
2-bromo-6-[[2-(methoxymethyl)anilino]methyl]phenol
CID 61390986
6-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylpyridin-3-amine
CID 113431275
6-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-2-methylpyridin-3-amine
CID 104599975
2-bromo-6-[(3-bromo-4-methylanilino)methyl]phenol
CID 63333631

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[[(6-bromo-2-methyl-3-pyridinyl)amino]methyl]phenol?
The IUPAC name of 2-bromo-6-[[(6-bromo-2-methyl-3-pyridinyl)amino]methyl]phenol (CID 104599949) is 2-bromo-6-[[(6-bromo-2-methyl-3-pyridinyl)amino]methyl]phenol.
What is the SMILES notation for 2-bromo-6-[[(6-bromo-2-methyl-3-pyridinyl)amino]methyl]phenol?
The canonical SMILES for 2-bromo-6-[[(6-bromo-2-methyl-3-pyridinyl)amino]methyl]phenol is Cc1nc(Br)ccc1NCc1cccc(Br)c1O.
What is the InChIKey of 2-bromo-6-[[(6-bromo-2-methyl-3-pyridinyl)amino]methyl]phenol?
The InChIKey is CTBUGLNWLPMOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2N2O/c1-8-11(5-6-12(15)17-8)16-7-9-3-2-4-10(14)13(9)18/h2-6,16,18H,7H2,1H3.
What are the key properties of 2-bromo-6-[[(6-bromo-2-methyl-3-pyridinyl)amino]methyl]phenol?
2-bromo-6-[[(6-bromo-2-methyl-3-pyridinyl)amino]methyl]phenol has a molecular weight of 372.06 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[[(6-bromo-2-methyl-3-pyridinyl)amino]methyl]phenol is sourced from PubChem (CID 104599949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).