4-bromo-2-[(E)-[(5-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol

C17H13BrN4O — CID 135460623

IUPAC4-bromo-2-[(E)-[(5-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
SMILESOc1ccc(Br)cc1/C=N/Nc1ncc(-c2ccccc2)cn1
InChIInChI=1S/C17H13BrN4O/c18-15-6-7-16(23)13(8-15)11-21-22-17-19-9-14(10-20-17)12-4-2-1-3-5-12/h1-11,23H,(H,19,20,22)/b21-11+
InChIKeyNJQDSAXXNJUAOZ-SRZZPIQSSA-N
MW369.22 g/mol
LogP4.06
Rot. Bonds4

About 4-bromo-2-[(E)-[(5-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol

4-bromo-2-[(E)-[(5-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 135460623) has the molecular formula C17H13BrN4O and a molecular weight of 369.22 g/mol. Its IUPAC name is 4-bromo-2-[(E)-[(5-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(E)-[(5-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
PubChem CID135460623
Molecular FormulaC17H13BrN4O
Molecular Weight369.22 g/mol
Exact Mass368.03
IUPAC Name4-bromo-2-[(E)-[(5-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
SMILESOc1ccc(Br)cc1/C=N/Nc1ncc(-c2ccccc2)cn1
InChIInChI=1S/C17H13BrN4O/c18-15-6-7-16(23)13(8-15)11-21-22-17-19-9-14(10-20-17)12-4-2-1-3-5-12/h1-11,23H,(H,19,20,22)/b21-11+
InChIKeyNJQDSAXXNJUAOZ-SRZZPIQSSA-N
XLogP4.06
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.22
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(5-Bromo-pyrimidin-2-yl)-hydrazonomethyl]-phenol
CID 135458767
2-{(1E)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-2-azavinyl}-4-bromophenol
CID 135519992
4-[[2-(5-Bromopyrimidin-2-yl)hydrazinyl]methylidene]cyclohexa-2,5-dien-1-one
CID 135421694
2,4-Dihydroxybenzaldehyde (5-phenyl-2-pyrimidinyl)hydrazone
CID 135495726
5-bromo-N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]pyrimidine-2-carboxamide
CID 177646996
4-Bromo-6-[[(5-phenyl-2-pyrimidinyl)hydrazo]methylidene]-1-cyclohexa-2,4-dienone
CID 3106949
2-[4-(2-Aminopyrimidin-5-yl)-3-fluorophenyl]phenol
CID 90329803
(E)-4-bromo-2-((2-(5-fluoro-4-morpholinopyrimidin-2-yl)hydrazono)methyl)phenol
CID 135846616
4-(2-Hydroxy-5-bromophenyl)pyrimidine
CID 619911
4-bromo-2-(3-pyrimidin-2-yl-1H-1,2,4-triazol-5-yl)phenol
CID 135429610
2-(2,4-Diaminopyrimidine-5-yl)phenol
CID 155907015
4-Bromo-2-[[[4-(4-fluorophenyl)-6-phenylpyrimidin-2-yl]hydrazinylidene]methyl]phenol
CID 3090563

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(E)-[(5-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 4-bromo-2-[(E)-[(5-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol (CID 135460623) is 4-bromo-2-[(E)-[(5-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-bromo-2-[(E)-[(5-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-bromo-2-[(E)-[(5-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol is Oc1ccc(Br)cc1/C=N/Nc1ncc(-c2ccccc2)cn1.
What is the InChIKey of 4-bromo-2-[(E)-[(5-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is NJQDSAXXNJUAOZ-SRZZPIQSSA-N. The full InChI is InChI=1S/C17H13BrN4O/c18-15-6-7-16(23)13(8-15)11-21-22-17-19-9-14(10-20-17)12-4-2-1-3-5-12/h1-11,23H,(H,19,20,22)/b21-11+.
What are the key properties of 4-bromo-2-[(E)-[(5-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol?
4-bromo-2-[(E)-[(5-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol has a molecular weight of 369.22 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(E)-[(5-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135460623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).