4-bromo-2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol

C12H10BrN3O — CID 135453955

IUPAC4-bromo-2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol
SMILESOc1ccc(Br)cc1/C=N/Nc1ccccn1
InChIInChI=1S/C12H10BrN3O/c13-10-4-5-11(17)9(7-10)8-15-16-12-3-1-2-6-14-12/h1-8,17H,(H,14,16)/b15-8+
InChIKeyVQQMWAPCKOMOKF-OVCLIPMQSA-N
MW292.14 g/mol
LogP3.00
Rot. Bonds3

About 4-bromo-2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol

4-bromo-2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol (PubChem CID 135453955) has the molecular formula C12H10BrN3O and a molecular weight of 292.14 g/mol. Its IUPAC name is 4-bromo-2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol
PubChem CID135453955
Molecular FormulaC12H10BrN3O
Molecular Weight292.14 g/mol
Exact Mass291.00
IUPAC Name4-bromo-2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol
SMILESOc1ccc(Br)cc1/C=N/Nc1ccccn1
InChIInChI=1S/C12H10BrN3O/c13-10-4-5-11(17)9(7-10)8-15-16-12-3-1-2-6-14-12/h1-8,17H,(H,14,16)/b15-8+
InChIKeyVQQMWAPCKOMOKF-OVCLIPMQSA-N
XLogP3.00
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol?
The IUPAC name of 4-bromo-2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol (CID 135453955) is 4-bromo-2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 4-bromo-2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol?
The canonical SMILES for 4-bromo-2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol is Oc1ccc(Br)cc1/C=N/Nc1ccccn1.
What is the InChIKey of 4-bromo-2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol?
The InChIKey is VQQMWAPCKOMOKF-OVCLIPMQSA-N. The full InChI is InChI=1S/C12H10BrN3O/c13-10-4-5-11(17)9(7-10)8-15-16-12-3-1-2-6-14-12/h1-8,17H,(H,14,16)/b15-8+.
What are the key properties of 4-bromo-2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol?
4-bromo-2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol has a molecular weight of 292.14 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 135453955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).