2-[[(5-bromo-4-methoxy-2-pyridinyl)amino]methyl]phenol

C13H13BrN2O2 — CID 75470151

IUPAC2-[[(5-bromo-4-methoxy-2-pyridinyl)amino]methyl]phenol
SMILESCOc1cc(NCc2ccccc2O)ncc1Br
InChIInChI=1S/C13H13BrN2O2/c1-18-12-6-13(16-8-10(12)14)15-7-9-4-2-3-5-11(9)17/h2-6,8,17H,7H2,1H3,(H,15,16)
InChIKeyXOKNKRTYHQXJIG-UHFFFAOYSA-N
MW309.16 g/mol
LogP3.17
Rot. Bonds4

About 2-[[(5-bromo-4-methoxy-2-pyridinyl)amino]methyl]phenol

2-[[(5-bromo-4-methoxy-2-pyridinyl)amino]methyl]phenol (PubChem CID 75470151) has the molecular formula C13H13BrN2O2 and a molecular weight of 309.16 g/mol. Its IUPAC name is 2-[[(5-bromo-4-methoxy-2-pyridinyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-[[(5-bromo-4-methoxy-2-pyridinyl)amino]methyl]phenol
PubChem CID75470151
Molecular FormulaC13H13BrN2O2
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC Name2-[[(5-bromo-4-methoxy-2-pyridinyl)amino]methyl]phenol
SMILESCOc1cc(NCc2ccccc2O)ncc1Br
InChIInChI=1S/C13H13BrN2O2/c1-18-12-6-13(16-8-10(12)14)15-7-9-4-2-3-5-11(9)17/h2-6,8,17H,7H2,1H3,(H,15,16)
InChIKeyXOKNKRTYHQXJIG-UHFFFAOYSA-N
XLogP3.17
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-4-methoxy-N-[(2-methoxyphenyl)methyl]pyrimidin-2-amine
CID 103726609
N-(5-bromo-4-methyl-2-pyridinyl)-2-(2-hydroxyphenyl)acetamide
CID 80741257
2-[[(3,5-dibromo-2-pyridinyl)amino]methyl]-6-methoxyphenol
CID 662389
5-chloro-N-[(2-methoxyphenyl)methyl]pyridin-2-amine
CID 28548307
methyl 4-[(5-bromo-4-methoxy-2-pyridinyl)amino]-4-oxobutanoate
CID 89443933
N-[(2-methoxyphenyl)methyl]-4-methyl-5-nitropyridin-2-amine
CID 79173429
5-bromo-4-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]pyridin-2-amine
CID 133403895
2-[[(6-bromopyrazin-2-yl)amino]methyl]phenol
CID 53250722
(2R)-3-hydroxy-2-[[4-methoxy-6-[(2-methyl-3-phenylphenyl)methylamino]-3-pyridinyl]methylamino]propanoic acid
CID 162645242
5-bromo-N-[(2-bromophenyl)methyl]-4-methoxypyrimidin-2-amine
CID 103745919
2-[(4-fluoro-2-methoxyanilino)methyl]phenol
CID 54968351
2-methoxy-5-[6-[[2-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]benzoic acid
CID 126586281

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-bromo-4-methoxy-2-pyridinyl)amino]methyl]phenol?
The IUPAC name of 2-[[(5-bromo-4-methoxy-2-pyridinyl)amino]methyl]phenol (CID 75470151) is 2-[[(5-bromo-4-methoxy-2-pyridinyl)amino]methyl]phenol.
What is the SMILES notation for 2-[[(5-bromo-4-methoxy-2-pyridinyl)amino]methyl]phenol?
The canonical SMILES for 2-[[(5-bromo-4-methoxy-2-pyridinyl)amino]methyl]phenol is COc1cc(NCc2ccccc2O)ncc1Br.
What is the InChIKey of 2-[[(5-bromo-4-methoxy-2-pyridinyl)amino]methyl]phenol?
The InChIKey is XOKNKRTYHQXJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2/c1-18-12-6-13(16-8-10(12)14)15-7-9-4-2-3-5-11(9)17/h2-6,8,17H,7H2,1H3,(H,15,16).
What are the key properties of 2-[[(5-bromo-4-methoxy-2-pyridinyl)amino]methyl]phenol?
2-[[(5-bromo-4-methoxy-2-pyridinyl)amino]methyl]phenol has a molecular weight of 309.16 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-bromo-4-methoxy-2-pyridinyl)amino]methyl]phenol is sourced from PubChem (CID 75470151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).