2-[(5-bromo-2-pyridinyl)diazenyl]-5-(dimethylamino)phenol

C13H13BrN4O — CID 135552954

IUPAC2-[(5-bromo-2-pyridinyl)diazenyl]-5-(dimethylamino)phenol
SMILESCN(C)c1ccc(/N=N/c2ccc(Br)cn2)c(O)c1
InChIInChI=1S/C13H13BrN4O/c1-18(2)10-4-5-11(12(19)7-10)16-17-13-6-3-9(14)8-15-13/h3-8,19H,1-2H3/b17-16+
InChIKeyLNIGBQNXJNNICD-WUKNDPDISA-N
MW321.18 g/mol
LogP4.03
Rot. Bonds3

About 2-[(5-bromo-2-pyridinyl)diazenyl]-5-(dimethylamino)phenol

2-[(5-bromo-2-pyridinyl)diazenyl]-5-(dimethylamino)phenol (PubChem CID 135552954) has the molecular formula C13H13BrN4O and a molecular weight of 321.18 g/mol. Its IUPAC name is 2-[(5-bromo-2-pyridinyl)diazenyl]-5-(dimethylamino)phenol.

Molecular Properties

Compound Name2-[(5-bromo-2-pyridinyl)diazenyl]-5-(dimethylamino)phenol
PubChem CID135552954
Molecular FormulaC13H13BrN4O
Molecular Weight321.18 g/mol
Exact Mass320.03
IUPAC Name2-[(5-bromo-2-pyridinyl)diazenyl]-5-(dimethylamino)phenol
SMILESCN(C)c1ccc(/N=N/c2ccc(Br)cn2)c(O)c1
InChIInChI=1S/C13H13BrN4O/c1-18(2)10-4-5-11(12(19)7-10)16-17-13-6-3-9(14)8-15-13/h3-8,19H,1-2H3/b17-16+
InChIKeyLNIGBQNXJNNICD-WUKNDPDISA-N
XLogP4.03
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.18
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-pyridinyl)diazenyl]-5-(dimethylamino)phenol?
The IUPAC name of 2-[(5-bromo-2-pyridinyl)diazenyl]-5-(dimethylamino)phenol (CID 135552954) is 2-[(5-bromo-2-pyridinyl)diazenyl]-5-(dimethylamino)phenol.
What is the SMILES notation for 2-[(5-bromo-2-pyridinyl)diazenyl]-5-(dimethylamino)phenol?
The canonical SMILES for 2-[(5-bromo-2-pyridinyl)diazenyl]-5-(dimethylamino)phenol is CN(C)c1ccc(/N=N/c2ccc(Br)cn2)c(O)c1.
What is the InChIKey of 2-[(5-bromo-2-pyridinyl)diazenyl]-5-(dimethylamino)phenol?
The InChIKey is LNIGBQNXJNNICD-WUKNDPDISA-N. The full InChI is InChI=1S/C13H13BrN4O/c1-18(2)10-4-5-11(12(19)7-10)16-17-13-6-3-9(14)8-15-13/h3-8,19H,1-2H3/b17-16+.
What are the key properties of 2-[(5-bromo-2-pyridinyl)diazenyl]-5-(dimethylamino)phenol?
2-[(5-bromo-2-pyridinyl)diazenyl]-5-(dimethylamino)phenol has a molecular weight of 321.18 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-pyridinyl)diazenyl]-5-(dimethylamino)phenol is sourced from PubChem (CID 135552954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).