2,4-dibromo-6-[(2-methoxy-4-nitrophenyl)iminomethyl]phenol

C14H10Br2N2O4 — CID 4305611

IUPAC2,4-dibromo-6-[(2-methoxy-4-nitrophenyl)iminomethyl]phenol
SMILESCOc1cc([N+](=O)[O-])ccc1/N=C/c1cc(Br)cc(Br)c1O
InChIInChI=1S/C14H10Br2N2O4/c1-22-13-6-10(18(20)21)2-3-12(13)17-7-8-4-9(15)5-11(16)14(8)19/h2-7,19H,1H3/b17-7+
InChIKeyJUUBZUTTZIXGQK-REZTVBANSA-N
MW430.05 g/mol
LogP4.58
Rot. Bonds4

About 2,4-dibromo-6-[(2-methoxy-4-nitrophenyl)iminomethyl]phenol

2,4-dibromo-6-[(2-methoxy-4-nitrophenyl)iminomethyl]phenol (PubChem CID 4305611) has the molecular formula C14H10Br2N2O4 and a molecular weight of 430.05 g/mol. Its IUPAC name is 2,4-dibromo-6-[(2-methoxy-4-nitrophenyl)iminomethyl]phenol.

Molecular Properties

Compound Name2,4-dibromo-6-[(2-methoxy-4-nitrophenyl)iminomethyl]phenol
PubChem CID4305611
Molecular FormulaC14H10Br2N2O4
Molecular Weight430.05 g/mol
Exact Mass427.90
IUPAC Name2,4-dibromo-6-[(2-methoxy-4-nitrophenyl)iminomethyl]phenol
SMILESCOc1cc([N+](=O)[O-])ccc1/N=C/c1cc(Br)cc(Br)c1O
InChIInChI=1S/C14H10Br2N2O4/c1-22-13-6-10(18(20)21)2-3-12(13)17-7-8-4-9(15)5-11(16)14(8)19/h2-7,19H,1H3/b17-7+
InChIKeyJUUBZUTTZIXGQK-REZTVBANSA-N
XLogP4.58
TPSA84.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.05
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,4-dibromo-6-[(2-methoxy-4-nitrophenyl)iminomethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2,4-dimethoxyphenyl)iminomethyl]-4-nitrophenol
CID 135595595
2,4-dibromo-6-[(3-nitrophenyl)iminomethyl]phenol
CID 1286595
N-(2-methoxy-4-nitrophenyl)-1-pyridin-4-ylmethanimine
CID 3058440
2-bromo-4-nitro-6-[(4-nitrophenyl)iminomethyl]phenol
CID 137076581
2-[(2-methoxy-5-nitrophenyl)iminomethyl]phenol
CID 5072766
3-hydroxy-2-[(2-methoxy-4-nitrophenyl)iminomethyl]-5,5-dimethylcyclohex-2-en-1-one
CID 135401765
1,3-diethyl-6-hydroxy-5-[(2-methoxy-4-nitrophenyl)iminomethyl]pyrimidine-2,4-dione
CID 4624154
2-[(2-bromo-4-nitrophenyl)iminomethyl]-4-nitrophenol
CID 2838677
2-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-4,6-dimethylphenol
CID 3664795
3-[(2-methoxy-4-nitrophenyl)iminomethyl]-1H-indol-2-ol
CID 5060153
2-[(4-methoxy-2-nitrophenyl)iminomethyl]-4-nitrophenol
CID 4595228
2-bromo-6-methoxy-4-[2-(4-nitrophenyl)ethenyl]phenol
CID 68740130

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-[(2-methoxy-4-nitrophenyl)iminomethyl]phenol?
The IUPAC name of 2,4-dibromo-6-[(2-methoxy-4-nitrophenyl)iminomethyl]phenol (CID 4305611) is 2,4-dibromo-6-[(2-methoxy-4-nitrophenyl)iminomethyl]phenol.
What is the SMILES notation for 2,4-dibromo-6-[(2-methoxy-4-nitrophenyl)iminomethyl]phenol?
The canonical SMILES for 2,4-dibromo-6-[(2-methoxy-4-nitrophenyl)iminomethyl]phenol is COc1cc([N+](=O)[O-])ccc1/N=C/c1cc(Br)cc(Br)c1O.
What is the InChIKey of 2,4-dibromo-6-[(2-methoxy-4-nitrophenyl)iminomethyl]phenol?
The InChIKey is JUUBZUTTZIXGQK-REZTVBANSA-N. The full InChI is InChI=1S/C14H10Br2N2O4/c1-22-13-6-10(18(20)21)2-3-12(13)17-7-8-4-9(15)5-11(16)14(8)19/h2-7,19H,1H3/b17-7+.
What are the key properties of 2,4-dibromo-6-[(2-methoxy-4-nitrophenyl)iminomethyl]phenol?
2,4-dibromo-6-[(2-methoxy-4-nitrophenyl)iminomethyl]phenol has a molecular weight of 430.05 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-[(2-methoxy-4-nitrophenyl)iminomethyl]phenol is sourced from PubChem (CID 4305611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).