4-bromo-2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol

C13H9BrN4O5 — CID 137122714

IUPAC4-bromo-2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
SMILESO=[N+]([O-])c1ccc(N/N=C\c2cc(Br)ccc2O)c([N+](=O)[O-])c1
InChIInChI=1S/C13H9BrN4O5/c14-9-1-4-13(19)8(5-9)7-15-16-11-3-2-10(17(20)21)6-12(11)18(22)23/h1-7,16,19H/b15-7-
InChIKeyDOCJUQMGOWERPU-CHHVJCJISA-N
MW381.14 g/mol
LogP3.42
Rot. Bonds5

About 4-bromo-2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol

4-bromo-2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol (PubChem CID 137122714) has the molecular formula C13H9BrN4O5 and a molecular weight of 381.14 g/mol. Its IUPAC name is 4-bromo-2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
PubChem CID137122714
Molecular FormulaC13H9BrN4O5
Molecular Weight381.14 g/mol
Exact Mass379.98
IUPAC Name4-bromo-2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
SMILESO=[N+]([O-])c1ccc(N/N=C\c2cc(Br)ccc2O)c([N+](=O)[O-])c1
InChIInChI=1S/C13H9BrN4O5/c14-9-1-4-13(19)8(5-9)7-15-16-11-3-2-10(17(20)21)6-12(11)18(22)23/h1-7,16,19H/b15-7-
InChIKeyDOCJUQMGOWERPU-CHHVJCJISA-N
XLogP3.42
TPSA130.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.14
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-nitrophenol
CID 135537481
2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-4-methylphenol
CID 137129355
N-[(4-bromophenyl)methylideneamino]-2,4-dinitroaniline
CID 632518
4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzene-1,3-diol
CID 135533486
N-[(E)-(4-bromo-3-nitrophenyl)methylideneamino]-2,4-dinitroaniline
CID 126209455
4-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
CID 135442992
2-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-5-methoxyphenol
CID 4227419
4-bromo-2-(2,4-dinitroanilino)phenol
CID 86702719
2,4-dichloro-6-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
CID 5173716
2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]benzoic acid
CID 5463188
5-(diethylamino)-2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
CID 135559916
N-[[4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2,3,5,6-tetramethylphenyl]methylideneamino]-2,4-dinitroaniline
CID 3936149

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 4-bromo-2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol (CID 137122714) is 4-bromo-2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-bromo-2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-bromo-2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol is O=[N+]([O-])c1ccc(N/N=C\c2cc(Br)ccc2O)c([N+](=O)[O-])c1.
What is the InChIKey of 4-bromo-2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol?
The InChIKey is DOCJUQMGOWERPU-CHHVJCJISA-N. The full InChI is InChI=1S/C13H9BrN4O5/c14-9-1-4-13(19)8(5-9)7-15-16-11-3-2-10(17(20)21)6-12(11)18(22)23/h1-7,16,19H/b15-7-.
What are the key properties of 4-bromo-2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol?
4-bromo-2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol has a molecular weight of 381.14 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 137122714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).