4-bromo-2-methoxy-6-[(5-methyl-2-pyridinyl)iminomethyl]phenol

C14H13BrN2O2 — CID 871909

IUPAC4-bromo-2-methoxy-6-[(5-methyl-2-pyridinyl)iminomethyl]phenol
SMILESCOc1cc(Br)cc(/C=N/c2ccc(C)cn2)c1O
InChIInChI=1S/C14H13BrN2O2/c1-9-3-4-13(16-7-9)17-8-10-5-11(15)6-12(19-2)14(10)18/h3-8,18H,1-2H3/b17-8+
InChIKeyNOTXKABNVWNKCI-CAOOACKPSA-N
MW321.17 g/mol
LogP3.62
Rot. Bonds3

About 4-bromo-2-methoxy-6-[(5-methyl-2-pyridinyl)iminomethyl]phenol

4-bromo-2-methoxy-6-[(5-methyl-2-pyridinyl)iminomethyl]phenol (PubChem CID 871909) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is 4-bromo-2-methoxy-6-[(5-methyl-2-pyridinyl)iminomethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-methoxy-6-[(5-methyl-2-pyridinyl)iminomethyl]phenol
PubChem CID871909
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name4-bromo-2-methoxy-6-[(5-methyl-2-pyridinyl)iminomethyl]phenol
SMILESCOc1cc(Br)cc(/C=N/c2ccc(C)cn2)c1O
InChIInChI=1S/C14H13BrN2O2/c1-9-3-4-13(16-7-9)17-8-10-5-11(15)6-12(19-2)14(10)18/h3-8,18H,1-2H3/b17-8+
InChIKeyNOTXKABNVWNKCI-CAOOACKPSA-N
XLogP3.62
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-methoxy-6-[(4-methylphenyl)iminomethyl]phenol
CID 1478235
4-bromo-2-[[4-[4-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]-6-methoxyphenol
CID 135619923
4-bromo-2-[(4-bromo-2,6-dimethylphenyl)iminomethyl]-6-methoxyphenol
CID 3446470
4-bromo-2-[[4-[4-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]-6-methoxyphenol
CID 135619911
4-bromo-2-[(4-iodophenyl)iminomethyl]-6-methoxyphenol
CID 3414958
4-bromo-2-[(3-chloro-4-methylphenyl)iminomethyl]-6-methoxyphenol
CID 135592590
4-bromo-2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol
CID 135592582
4-bromo-2-[(5-chloro-2-methylphenyl)iminomethyl]-6-methoxyphenol
CID 1378103
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-methoxy-6-[[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol
CID 1121865
4-bromo-2-methoxy-6-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 1377778

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxy-6-[(5-methyl-2-pyridinyl)iminomethyl]phenol?
The IUPAC name of 4-bromo-2-methoxy-6-[(5-methyl-2-pyridinyl)iminomethyl]phenol (CID 871909) is 4-bromo-2-methoxy-6-[(5-methyl-2-pyridinyl)iminomethyl]phenol.
What is the SMILES notation for 4-bromo-2-methoxy-6-[(5-methyl-2-pyridinyl)iminomethyl]phenol?
The canonical SMILES for 4-bromo-2-methoxy-6-[(5-methyl-2-pyridinyl)iminomethyl]phenol is COc1cc(Br)cc(/C=N/c2ccc(C)cn2)c1O.
What is the InChIKey of 4-bromo-2-methoxy-6-[(5-methyl-2-pyridinyl)iminomethyl]phenol?
The InChIKey is NOTXKABNVWNKCI-CAOOACKPSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-9-3-4-13(16-7-9)17-8-10-5-11(15)6-12(19-2)14(10)18/h3-8,18H,1-2H3/b17-8+.
What are the key properties of 4-bromo-2-methoxy-6-[(5-methyl-2-pyridinyl)iminomethyl]phenol?
4-bromo-2-methoxy-6-[(5-methyl-2-pyridinyl)iminomethyl]phenol has a molecular weight of 321.17 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxy-6-[(5-methyl-2-pyridinyl)iminomethyl]phenol is sourced from PubChem (CID 871909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).