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

C14H15BrN2O2 — CID 104600016

IUPAC5-[[(6-bromo-2-methyl-3-pyridinyl)amino]methyl]-2-methoxyphenol
SMILESCOc1ccc(CNc2ccc(Br)nc2C)cc1O
InChIInChI=1S/C14H15BrN2O2/c1-9-11(4-6-14(15)17-9)16-8-10-3-5-13(19-2)12(18)7-10/h3-7,16,18H,8H2,1-2H3
InChIKeyGGZIMKCURSGJFN-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.48
Rot. Bonds4

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

5-[[(6-bromo-2-methyl-3-pyridinyl)amino]methyl]-2-methoxyphenol (PubChem CID 104600016) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 5-[[(6-bromo-2-methyl-3-pyridinyl)amino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[[(6-bromo-2-methyl-3-pyridinyl)amino]methyl]-2-methoxyphenol
PubChem CID104600016
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name5-[[(6-bromo-2-methyl-3-pyridinyl)amino]methyl]-2-methoxyphenol
SMILESCOc1ccc(CNc2ccc(Br)nc2C)cc1O
InChIInChI=1S/C14H15BrN2O2/c1-9-11(4-6-14(15)17-9)16-8-10-3-5-13(19-2)12(18)7-10/h3-7,16,18H,8H2,1-2H3
InChIKeyGGZIMKCURSGJFN-UHFFFAOYSA-N
XLogP3.48
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-methylpyridin-3-amine
CID 104600023
6-bromo-N-[(3,4-dimethylphenyl)methyl]-2-methylpyridin-3-amine
CID 114050710
6-bromo-N-[(2-methoxy-5-methylphenyl)methyl]-2-methylpyridin-3-amine
CID 104599975
5-[(2-bromo-4-fluoroanilino)methyl]-2-methoxyphenol
CID 28939098
5-[(2-bromo-5-fluoroanilino)methyl]-2-methoxyphenol
CID 107633247
5-[[(3,5-dimethyl-1H-pyrazol-4-yl)amino]methyl]-2-methoxyphenol
CID 43547406
6-bromo-N-[(4-chlorophenyl)methyl]-2-methylpyridin-3-amine
CID 114050706
5-[(2,5-dichloro-4-methylanilino)methyl]-2-methoxyphenol
CID 104726290
4-[(3-hydroxy-4-methoxyphenyl)methylamino]-3-methylbenzoic acid
CID 43736031
4-[(5-bromo-2-methoxyanilino)methyl]benzene-1,2-diol
CID 61059476
6-bromo-N-[[4-(dimethylamino)phenyl]methyl]-2-methylpyridin-3-amine
CID 104600047
2-methoxy-5-[(2,4,6-trimethylanilino)methyl]phenol
CID 39370195

Frequently Asked Questions

What is the IUPAC name of 5-[[(6-bromo-2-methyl-3-pyridinyl)amino]methyl]-2-methoxyphenol?
The IUPAC name of 5-[[(6-bromo-2-methyl-3-pyridinyl)amino]methyl]-2-methoxyphenol (CID 104600016) is 5-[[(6-bromo-2-methyl-3-pyridinyl)amino]methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[[(6-bromo-2-methyl-3-pyridinyl)amino]methyl]-2-methoxyphenol?
The canonical SMILES for 5-[[(6-bromo-2-methyl-3-pyridinyl)amino]methyl]-2-methoxyphenol is COc1ccc(CNc2ccc(Br)nc2C)cc1O.
What is the InChIKey of 5-[[(6-bromo-2-methyl-3-pyridinyl)amino]methyl]-2-methoxyphenol?
The InChIKey is GGZIMKCURSGJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-9-11(4-6-14(15)17-9)16-8-10-3-5-13(19-2)12(18)7-10/h3-7,16,18H,8H2,1-2H3.
What are the key properties of 5-[[(6-bromo-2-methyl-3-pyridinyl)amino]methyl]-2-methoxyphenol?
5-[[(6-bromo-2-methyl-3-pyridinyl)amino]methyl]-2-methoxyphenol has a molecular weight of 323.19 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(6-bromo-2-methyl-3-pyridinyl)amino]methyl]-2-methoxyphenol is sourced from PubChem (CID 104600016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).