2-bromo-6-[(4-bromo-3-methylphenyl)iminomethyl]-4-nitrophenol

C14H10Br2N2O3 — CID 137138148

IUPAC2-bromo-6-[(4-bromo-3-methylphenyl)iminomethyl]-4-nitrophenol
SMILESCc1cc(/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)ccc1Br
InChIInChI=1S/C14H10Br2N2O3/c1-8-4-10(2-3-12(8)15)17-7-9-5-11(18(20)21)6-13(16)14(9)19/h2-7,19H,1H3/b17-7+
InChIKeyCRXNQOZBJDSSNK-REZTVBANSA-N
MW414.05 g/mol
LogP4.88
Rot. Bonds3

About 2-bromo-6-[(4-bromo-3-methylphenyl)iminomethyl]-4-nitrophenol

2-bromo-6-[(4-bromo-3-methylphenyl)iminomethyl]-4-nitrophenol (PubChem CID 137138148) has the molecular formula C14H10Br2N2O3 and a molecular weight of 414.05 g/mol. Its IUPAC name is 2-bromo-6-[(4-bromo-3-methylphenyl)iminomethyl]-4-nitrophenol.

Molecular Properties

Compound Name2-bromo-6-[(4-bromo-3-methylphenyl)iminomethyl]-4-nitrophenol
PubChem CID137138148
Molecular FormulaC14H10Br2N2O3
Molecular Weight414.05 g/mol
Exact Mass411.91
IUPAC Name2-bromo-6-[(4-bromo-3-methylphenyl)iminomethyl]-4-nitrophenol
SMILESCc1cc(/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)ccc1Br
InChIInChI=1S/C14H10Br2N2O3/c1-8-4-10(2-3-12(8)15)17-7-9-5-11(18(20)21)6-13(16)14(9)19/h2-7,19H,1H3/b17-7+
InChIKeyCRXNQOZBJDSSNK-REZTVBANSA-N
XLogP4.88
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.05
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

2-bromo-4-nitro-6-[(4-nitrophenyl)iminomethyl]phenol
CID 137076581
2-bromo-6-[[4-(3-methoxyphenoxy)phenyl]iminomethyl]-4-nitrophenol
CID 137043467
2,4-dibromo-6-[(3-nitrophenyl)iminomethyl]phenol
CID 1286595
2-bromo-6-[(2,6-dimethylquinolin-5-yl)iminomethyl]-4-nitrophenol
CID 135582198
2-bromo-4-nitro-6-[(E)-(phenylhydrazinylidene)methyl]phenol
CID 139061463
2-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]benzoic acid
CID 5066193
[(E)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]urea
CID 135504406
2-bromo-6-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]-4-nitrophenol
CID 3096698
2-bromo-6-[[2-[(2R)-butan-2-yl]phenyl]iminomethyl]-4-nitrophenol
CID 137084935
1-[4-[4-[(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]piperazin-1-yl]butan-1-one
CID 3472801
N-[(E)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 135579191
2-iodo-6-[(4-iodophenyl)iminomethyl]-4-nitrophenol
CID 4080590

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(4-bromo-3-methylphenyl)iminomethyl]-4-nitrophenol?
The IUPAC name of 2-bromo-6-[(4-bromo-3-methylphenyl)iminomethyl]-4-nitrophenol (CID 137138148) is 2-bromo-6-[(4-bromo-3-methylphenyl)iminomethyl]-4-nitrophenol.
What is the SMILES notation for 2-bromo-6-[(4-bromo-3-methylphenyl)iminomethyl]-4-nitrophenol?
The canonical SMILES for 2-bromo-6-[(4-bromo-3-methylphenyl)iminomethyl]-4-nitrophenol is Cc1cc(/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)ccc1Br.
What is the InChIKey of 2-bromo-6-[(4-bromo-3-methylphenyl)iminomethyl]-4-nitrophenol?
The InChIKey is CRXNQOZBJDSSNK-REZTVBANSA-N. The full InChI is InChI=1S/C14H10Br2N2O3/c1-8-4-10(2-3-12(8)15)17-7-9-5-11(18(20)21)6-13(16)14(9)19/h2-7,19H,1H3/b17-7+.
What are the key properties of 2-bromo-6-[(4-bromo-3-methylphenyl)iminomethyl]-4-nitrophenol?
2-bromo-6-[(4-bromo-3-methylphenyl)iminomethyl]-4-nitrophenol has a molecular weight of 414.05 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(4-bromo-3-methylphenyl)iminomethyl]-4-nitrophenol is sourced from PubChem (CID 137138148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).