2-bromo-6-[(5-ethyl-2-hydroxyphenyl)iminomethyl]-4-nitrophenol

C15H13BrN2O4 — CID 5016425

IUPAC2-bromo-6-[(5-ethyl-2-hydroxyphenyl)iminomethyl]-4-nitrophenol
SMILESCCc1ccc(O)c(/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)c1
InChIInChI=1S/C15H13BrN2O4/c1-2-9-3-4-14(19)13(5-9)17-8-10-6-11(18(21)22)7-12(16)15(10)20/h3-8,19-20H,2H2,1H3/b17-8+
InChIKeyCFHRCCFDYQCNHW-CAOOACKPSA-N
MW365.18 g/mol
LogP4.08
Rot. Bonds4

About 2-bromo-6-[(5-ethyl-2-hydroxyphenyl)iminomethyl]-4-nitrophenol

2-bromo-6-[(5-ethyl-2-hydroxyphenyl)iminomethyl]-4-nitrophenol (PubChem CID 5016425) has the molecular formula C15H13BrN2O4 and a molecular weight of 365.18 g/mol. Its IUPAC name is 2-bromo-6-[(5-ethyl-2-hydroxyphenyl)iminomethyl]-4-nitrophenol.

Molecular Properties

Compound Name2-bromo-6-[(5-ethyl-2-hydroxyphenyl)iminomethyl]-4-nitrophenol
PubChem CID5016425
Molecular FormulaC15H13BrN2O4
Molecular Weight365.18 g/mol
Exact Mass364.01
IUPAC Name2-bromo-6-[(5-ethyl-2-hydroxyphenyl)iminomethyl]-4-nitrophenol
SMILESCCc1ccc(O)c(/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)c1
InChIInChI=1S/C15H13BrN2O4/c1-2-9-3-4-14(19)13(5-9)17-8-10-6-11(18(21)22)7-12(16)15(10)20/h3-8,19-20H,2H2,1H3/b17-8+
InChIKeyCFHRCCFDYQCNHW-CAOOACKPSA-N
XLogP4.08
TPSA95.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.18
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', '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

Bromofenoxim
CID 86287521
2-Bromo-4-[({3-nitro-2-methylphenyl}imino)methyl]phenol
CID 831223
2,4-Dibromo-6-{(E)-[(2-hydroxy-5-nitrophenyl)imino]methyl}phenol
CID 4020983
2-Bromo-6-[(3-ethynylphenyl)iminomethyl]-4-nitrophenol
CID 335185
2-{(E)-[(2-hydroxyphenyl)imino]methyl}-4-nitrophenol
CID 3252917
2,6-Dibromo-4-[(2,4-dinitrophenoxy)iminomethyl]phenol
CID 25763
5-Bromo-2-hydroxy-3-nitro-benzaldehyde O-methyl-oxime
CID 136110927
2-[(E)-[(4-Bromo-3-nitrophenyl)methylidene]amino]-4-methylphenol
CID 4067765
4-Bromo-2-{[(4-bromophenyl)imino]methyl}-6-nitrophenol
CID 1042079
2-[(E)-[(2-Hydroxy-5-methylphenyl)imino]methyl]-6-nitrophenol
CID 3431183
4-ethyl-2-{[(E)-(2-hydroxy-5-nitrophenyl)methylidene]amino}phenol
CID 3570145
4-Bromo-2-nitro-6-[({4-nitrophenyl}imino)methyl]phenol
CID 3908041

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(5-ethyl-2-hydroxyphenyl)iminomethyl]-4-nitrophenol?
The IUPAC name of 2-bromo-6-[(5-ethyl-2-hydroxyphenyl)iminomethyl]-4-nitrophenol (CID 5016425) is 2-bromo-6-[(5-ethyl-2-hydroxyphenyl)iminomethyl]-4-nitrophenol.
What is the SMILES notation for 2-bromo-6-[(5-ethyl-2-hydroxyphenyl)iminomethyl]-4-nitrophenol?
The canonical SMILES for 2-bromo-6-[(5-ethyl-2-hydroxyphenyl)iminomethyl]-4-nitrophenol is CCc1ccc(O)c(/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)c1.
What is the InChIKey of 2-bromo-6-[(5-ethyl-2-hydroxyphenyl)iminomethyl]-4-nitrophenol?
The InChIKey is CFHRCCFDYQCNHW-CAOOACKPSA-N. The full InChI is InChI=1S/C15H13BrN2O4/c1-2-9-3-4-14(19)13(5-9)17-8-10-6-11(18(21)22)7-12(16)15(10)20/h3-8,19-20H,2H2,1H3/b17-8+.
What are the key properties of 2-bromo-6-[(5-ethyl-2-hydroxyphenyl)iminomethyl]-4-nitrophenol?
2-bromo-6-[(5-ethyl-2-hydroxyphenyl)iminomethyl]-4-nitrophenol has a molecular weight of 365.18 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(5-ethyl-2-hydroxyphenyl)iminomethyl]-4-nitrophenol is sourced from PubChem (CID 5016425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).