2-[(3-bromo-2-pyridinyl)diazenyl]-5-(diethylamino)phenol

C15H17BrN4O — CID 136611798

IUPAC2-[(3-bromo-2-pyridinyl)diazenyl]-5-(diethylamino)phenol
SMILESCCN(CC)c1ccc(/N=N/c2ncccc2Br)c(O)c1
InChIInChI=1S/C15H17BrN4O/c1-3-20(4-2)11-7-8-13(14(21)10-11)18-19-15-12(16)6-5-9-17-15/h5-10,21H,3-4H2,1-2H3/b19-18+
InChIKeyNRICGDKGAUMTBK-VHEBQXMUSA-N
MW349.23 g/mol
LogP4.81
Rot. Bonds5

About 2-[(3-bromo-2-pyridinyl)diazenyl]-5-(diethylamino)phenol

2-[(3-bromo-2-pyridinyl)diazenyl]-5-(diethylamino)phenol (PubChem CID 136611798) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is 2-[(3-bromo-2-pyridinyl)diazenyl]-5-(diethylamino)phenol.

Molecular Properties

Compound Name2-[(3-bromo-2-pyridinyl)diazenyl]-5-(diethylamino)phenol
PubChem CID136611798
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC Name2-[(3-bromo-2-pyridinyl)diazenyl]-5-(diethylamino)phenol
SMILESCCN(CC)c1ccc(/N=N/c2ncccc2Br)c(O)c1
InChIInChI=1S/C15H17BrN4O/c1-3-20(4-2)11-7-8-13(14(21)10-11)18-19-15-12(16)6-5-9-17-15/h5-10,21H,3-4H2,1-2H3/b19-18+
InChIKeyNRICGDKGAUMTBK-VHEBQXMUSA-N
XLogP4.81
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 54.81
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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Related Compounds

5-(diethylamino)-2-[[4-[4-[[4-(diethylamino)-2-hydroxyphenyl]diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]phenol
CID 137081566
sodium;2-[(5-bromo-2-pyridinyl)diazenyl]-5-(diethylamino)phenol;tetraphenylboranuide
CID 174763131
bis(5-(diethylamino)-2-[(2-hydroxy-4-nitrophenyl)diazenyl]phenol);vanadium
CID 171731418
2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)diazenyl]-5-(diethylamino)phenol
CID 135829617
5-(diethylamino)-2-[(2-hydroxy-5-nitrophenyl)diazenyl]phenol
CID 135608350
2-[(5-chloro-2-pyridinyl)diazenyl]-5-(diethylamino)phenol;2-[(5-chloro-2-pyridinyl)diazenyl]-5-(diethylamino)phenolate;cobalt;hydrochloride
CID 170845642
1-[5-(diethylamino)-2-(pyrimidin-2-yldiazenyl)phenyl]-2,2,2-trifluoroethanone
CID 20728771
3-bromo-N,N-diethylpyridin-2-amine
CID 61374664
2-[(E)-(3-hydroxy-2-pyridinyl)diazenyl]pyridin-3-ol
CID 137201296
3-bromo-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
CID 107518027
2-[[4-(diethylamino)-2-hydroxyphenyl]diazenyl]-1,3-benzothiazole-6-carboxylic acid
CID 136797804
2-[[5-bromo-1-[3-[2-[[4-(dimethylamino)phenyl]diazenyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-2-yl]diazenyl]-5-(diethylamino)phenol
CID 135556059

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-2-pyridinyl)diazenyl]-5-(diethylamino)phenol?
The IUPAC name of 2-[(3-bromo-2-pyridinyl)diazenyl]-5-(diethylamino)phenol (CID 136611798) is 2-[(3-bromo-2-pyridinyl)diazenyl]-5-(diethylamino)phenol.
What is the SMILES notation for 2-[(3-bromo-2-pyridinyl)diazenyl]-5-(diethylamino)phenol?
The canonical SMILES for 2-[(3-bromo-2-pyridinyl)diazenyl]-5-(diethylamino)phenol is CCN(CC)c1ccc(/N=N/c2ncccc2Br)c(O)c1.
What is the InChIKey of 2-[(3-bromo-2-pyridinyl)diazenyl]-5-(diethylamino)phenol?
The InChIKey is NRICGDKGAUMTBK-VHEBQXMUSA-N. The full InChI is InChI=1S/C15H17BrN4O/c1-3-20(4-2)11-7-8-13(14(21)10-11)18-19-15-12(16)6-5-9-17-15/h5-10,21H,3-4H2,1-2H3/b19-18+.
What are the key properties of 2-[(3-bromo-2-pyridinyl)diazenyl]-5-(diethylamino)phenol?
2-[(3-bromo-2-pyridinyl)diazenyl]-5-(diethylamino)phenol has a molecular weight of 349.23 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-2-pyridinyl)diazenyl]-5-(diethylamino)phenol is sourced from PubChem (CID 136611798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).