2,6-dibromo-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol

C12H9Br2N3O — CID 3901315

IUPAC2,6-dibromo-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol
SMILESOc1c(Br)cc(C=NNc2ccccn2)cc1Br
InChIInChI=1S/C12H9Br2N3O/c13-9-5-8(6-10(14)12(9)18)7-16-17-11-3-1-2-4-15-11/h1-7,18H,(H,15,17)
InChIKeyJPPQUBVJDINQJH-UHFFFAOYSA-N
MW371.03 g/mol
LogP3.76
Rot. Bonds3

About 2,6-dibromo-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol

2,6-dibromo-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol (PubChem CID 3901315) has the molecular formula C12H9Br2N3O and a molecular weight of 371.03 g/mol. Its IUPAC name is 2,6-dibromo-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol
PubChem CID3901315
Molecular FormulaC12H9Br2N3O
Molecular Weight371.03 g/mol
Exact Mass368.91
IUPAC Name2,6-dibromo-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol
SMILESOc1c(Br)cc(C=NNc2ccccn2)cc1Br
InChIInChI=1S/C12H9Br2N3O/c13-9-5-8(6-10(14)12(9)18)7-16-17-11-3-1-2-4-15-11/h1-7,18H,(H,15,17)
InChIKeyJPPQUBVJDINQJH-UHFFFAOYSA-N
XLogP3.76
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.03
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol?
The IUPAC name of 2,6-dibromo-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol (CID 3901315) is 2,6-dibromo-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol is Oc1c(Br)cc(C=NNc2ccccn2)cc1Br.
What is the InChIKey of 2,6-dibromo-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol?
The InChIKey is JPPQUBVJDINQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2N3O/c13-9-5-8(6-10(14)12(9)18)7-16-17-11-3-1-2-4-15-11/h1-7,18H,(H,15,17).
What are the key properties of 2,6-dibromo-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol?
2,6-dibromo-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol has a molecular weight of 371.03 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[(pyridin-2-ylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 3901315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).