4-[[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol

C11H9BrN4O2 — CID 2841982

IUPAC4-[[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
SMILESOc1ccc(C=NNc2ncc(Br)cn2)c(O)c1
InChIInChI=1S/C11H9BrN4O2/c12-8-5-13-11(14-6-8)16-15-4-7-1-2-9(17)3-10(7)18/h1-6,17-18H,(H,13,14,16)
InChIKeyQXJFPQOMUJKGCR-UHFFFAOYSA-N
MW309.12 g/mol
LogP2.10
Rot. Bonds3

About 4-[[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol

4-[[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol (PubChem CID 2841982) has the molecular formula C11H9BrN4O2 and a molecular weight of 309.12 g/mol. Its IUPAC name is 4-[[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
PubChem CID2841982
Molecular FormulaC11H9BrN4O2
Molecular Weight309.12 g/mol
Exact Mass307.99
IUPAC Name4-[[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol
SMILESOc1ccc(C=NNc2ncc(Br)cn2)c(O)c1
InChIInChI=1S/C11H9BrN4O2/c12-8-5-13-11(14-6-8)16-15-4-7-1-2-9(17)3-10(7)18/h1-6,17-18H,(H,13,14,16)
InChIKeyQXJFPQOMUJKGCR-UHFFFAOYSA-N
XLogP2.10
TPSA90.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.12
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol?
The IUPAC name of 4-[[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol (CID 2841982) is 4-[[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol?
The canonical SMILES for 4-[[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol is Oc1ccc(C=NNc2ncc(Br)cn2)c(O)c1.
What is the InChIKey of 4-[[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol?
The InChIKey is QXJFPQOMUJKGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4O2/c12-8-5-13-11(14-6-8)16-15-4-7-1-2-9(17)3-10(7)18/h1-6,17-18H,(H,13,14,16).
What are the key properties of 4-[[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol?
4-[[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol has a molecular weight of 309.12 g/mol, XLogP of 2.10, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-bromopyrimidin-2-yl)hydrazinylidene]methyl]benzene-1,3-diol is sourced from PubChem (CID 2841982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).