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

C11H9BrN4O — CID 135458767

IUPAC2-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]phenol
SMILESOc1ccccc1/C=N/Nc1ncc(Br)cn1
InChIInChI=1S/C11H9BrN4O/c12-9-6-13-11(14-7-9)16-15-5-8-3-1-2-4-10(8)17/h1-7,17H,(H,13,14,16)/b15-5+
InChIKeyRWJZGSFBBPKRTJ-PJQLUOCWSA-N
MW293.12 g/mol
LogP2.39
Rot. Bonds3

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

2-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]phenol (PubChem CID 135458767) has the molecular formula C11H9BrN4O and a molecular weight of 293.12 g/mol. Its IUPAC name is 2-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]phenol
PubChem CID135458767
Molecular FormulaC11H9BrN4O
Molecular Weight293.12 g/mol
Exact Mass292.00
IUPAC Name2-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]phenol
SMILESOc1ccccc1/C=N/Nc1ncc(Br)cn1
InChIInChI=1S/C11H9BrN4O/c12-9-6-13-11(14-7-9)16-15-5-8-3-1-2-4-10(8)17/h1-7,17H,(H,13,14,16)/b15-5+
InChIKeyRWJZGSFBBPKRTJ-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_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-{(1E)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-2-azavinyl}-4-bromophenol
CID 135519992
Phenol, 4-[(2,4-diamino-5-pyrimidinyl)methyl]-
CID 13112727
4-[(2,4-Diaminopyrimidin-5-yl)methyl]-2,6-bis(prop-2-enyl)phenol
CID 14570148
2,4-Dimethoxybenzaldehyde (5-bromo-2-pyrimidinyl)hydrazone
CID 5332798
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
3,5-Dichloro-2-hydroxybenzaldehyde (5-bromo-2-pyrimidinyl)hydrazone
CID 135421697
(E)-2-((2-(5-fluoro-4-morpholinopyrimidin-2-yl)hydrazono)methyl)phenol
CID 135487489
Phenol, 2-(2-pyrimidinyl)-
CID 598941
4-[[2-(5-Bromopyrimidin-2-yl)hydrazinyl]methylidene]cyclohexa-2,5-dien-1-one
CID 135421694
4-bromo-2-[(E)-[(5-phenylpyrimidin-2-yl)hydrazinylidene]methyl]phenol
CID 135460623

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]phenol (CID 135458767) is 2-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]phenol is Oc1ccccc1/C=N/Nc1ncc(Br)cn1.
What is the InChIKey of 2-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]phenol?
The InChIKey is RWJZGSFBBPKRTJ-PJQLUOCWSA-N. The full InChI is InChI=1S/C11H9BrN4O/c12-9-6-13-11(14-7-9)16-15-5-8-3-1-2-4-10(8)17/h1-7,17H,(H,13,14,16)/b15-5+.
What are the key properties of 2-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]phenol?
2-[(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 2-[(E)-[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135458767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).