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

C11H9BrN4O — CID 135421694

IUPAC4-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]phenol
SMILESOc1ccc(/C=N/Nc2ncc(Br)cn2)cc1
InChIInChI=1S/C11H9BrN4O/c12-9-6-13-11(14-7-9)16-15-5-8-1-3-10(17)4-2-8/h1-7,17H,(H,13,14,16)/b15-5+
InChIKeyJFZIDMHGGLTRKJ-PJQLUOCWSA-N
MW293.12 g/mol
LogP2.39
Rot. Bonds3

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

4-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 135421694) has the molecular formula C11H9BrN4O and a molecular weight of 293.12 g/mol. Its IUPAC name is 4-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]phenol
PubChem CID135421694
Molecular FormulaC11H9BrN4O
Molecular Weight293.12 g/mol
Exact Mass292.00
IUPAC Name4-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]phenol
SMILESOc1ccc(/C=N/Nc2ncc(Br)cn2)cc1
InChIInChI=1S/C11H9BrN4O/c12-9-6-13-11(14-7-9)16-15-5-8-1-3-10(17)4-2-8/h1-7,17H,(H,13,14,16)/b15-5+
InChIKeyJFZIDMHGGLTRKJ-PJQLUOCWSA-N
XLogP2.39
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.12
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-Bromo-pyrimidin-2-yl)-hydrazonomethyl]-phenol
CID 135458767
4-{(E)-[2-(5-amino-6-chloropyrimidin-4-yl)hydrazinylidene]methyl}phenol
CID 135460447
Phenol, 4-[(2,4-diamino-5-pyrimidinyl)methyl]-
CID 13112727
4-[(2,4-Diaminopyrimidin-5-yl)methyl]-2,6-diiodophenol
CID 13739866
3-(2,4-Diamino-pyrimidin-5-ylmethyl)-phenol
CID 10608757
4-[(2,4-Diaminopyrimidin-5-yl)methyl]-2-prop-2-enylphenol
CID 14570146
4-[(E)-[(5-Bromopyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135421695
4-bromo-2-[(E)-[(5-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
CID 135460623
3-[(E)-(pyrimidin-2-ylhydrazinylidene)methyl]benzene-1,2-diol
CID 155517100
2-[(2,4-Diaminopyrimidin-5-yl)methyl]phenol
CID 10703929
2-[(E)-[(5-fluoropyrimidin-2-yl)hydrazinylidene]methyl]phenol
CID 137225102
2-[(E)-[(5-chloropyrimidin-2-yl)hydrazinylidene]methyl]phenol
CID 137174985

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 4-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]phenol (CID 135421694) is 4-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]phenol is Oc1ccc(/C=N/Nc2ncc(Br)cn2)cc1.
What is the InChIKey of 4-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is JFZIDMHGGLTRKJ-PJQLUOCWSA-N. The full InChI is InChI=1S/C11H9BrN4O/c12-9-6-13-11(14-7-9)16-15-5-8-1-3-10(17)4-2-8/h1-7,17H,(H,13,14,16)/b15-5+.
What are the key properties of 4-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]phenol?
4-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]phenol has a molecular weight of 293.12 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135421694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).