4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-(methoxyamino)phenol

C14H13BrN2O3 — CID 143730258

IUPAC4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-(methoxyamino)phenol
SMILESCONc1cc(Br)cc(/C=N/c2ccccc2O)c1O
InChIInChI=1S/C14H13BrN2O3/c1-20-17-12-7-10(15)6-9(14(12)19)8-16-11-4-2-3-5-13(11)18/h2-8,17-19H,1H3/b16-8+
InChIKeyPPMXXAMXQLZQCV-LZYBPNLTSA-N
MW337.17 g/mol
LogP3.58
Rot. Bonds4

About 4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-(methoxyamino)phenol

4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-(methoxyamino)phenol (PubChem CID 143730258) has the molecular formula C14H13BrN2O3 and a molecular weight of 337.17 g/mol. Its IUPAC name is 4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-(methoxyamino)phenol.

Molecular Properties

Compound Name4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-(methoxyamino)phenol
PubChem CID143730258
Molecular FormulaC14H13BrN2O3
Molecular Weight337.17 g/mol
Exact Mass336.01
IUPAC Name4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-(methoxyamino)phenol
SMILESCONc1cc(Br)cc(/C=N/c2ccccc2O)c1O
InChIInChI=1S/C14H13BrN2O3/c1-20-17-12-7-10(15)6-9(14(12)19)8-16-11-4-2-3-5-13(11)18/h2-8,17-19H,1H3/b16-8+
InChIKeyPPMXXAMXQLZQCV-LZYBPNLTSA-N
XLogP3.58
TPSA74.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-iodophenol
CID 137173243
methyl 4-hydroxy-3,5-bis[(2-hydroxyphenyl)iminomethyl]benzoate
CID 136845916
4-bromo-2-iodo-6-[(2-methoxyphenyl)iminomethyl]phenol
CID 137043389
2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]benzoic acid
CID 871301
4-bromo-2-[[2-[2-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]-6-tert-butylphenol
CID 3095687
4-bromo-2-methoxy-6-(quinolin-5-yliminomethyl)phenol
CID 171981027
4-bromo-2-[(3-chloro-2-methylphenyl)iminomethyl]-6-methoxyphenol
CID 135592586
4-bromo-2-[[5-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]naphthalen-1-yl]iminomethyl]-6-tert-butylphenol
CID 135405998
copper 2-[(2-hydroxyphenyl)iminomethyl]phenol
CID 135534570
zinc 2-[(2-hydroxyphenyl)iminomethyl]phenol
CID 135534569
1-[2-hydroxy-3-[(2-hydroxyphenyl)iminomethyl]naphthalen-1-yl]-3-[(2-hydroxyphenyl)iminomethyl]naphthalen-2-ol
CID 136596197
2,4-dibromo-6-[(5-ethyl-2-hydroxyphenyl)iminomethyl]phenol
CID 1355768

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-(methoxyamino)phenol?
The IUPAC name of 4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-(methoxyamino)phenol (CID 143730258) is 4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-(methoxyamino)phenol.
What is the SMILES notation for 4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-(methoxyamino)phenol?
The canonical SMILES for 4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-(methoxyamino)phenol is CONc1cc(Br)cc(/C=N/c2ccccc2O)c1O.
What is the InChIKey of 4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-(methoxyamino)phenol?
The InChIKey is PPMXXAMXQLZQCV-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H13BrN2O3/c1-20-17-12-7-10(15)6-9(14(12)19)8-16-11-4-2-3-5-13(11)18/h2-8,17-19H,1H3/b16-8+.
What are the key properties of 4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-(methoxyamino)phenol?
4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-(methoxyamino)phenol has a molecular weight of 337.17 g/mol, XLogP of 3.58, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-(methoxyamino)phenol is sourced from PubChem (CID 143730258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).