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

C13H11BrN2O — CID 869448

IUPAC4-bromo-2-[(4-methyl-2-pyridinyl)iminomethyl]phenol
SMILESCc1ccnc(/N=C/c2cc(Br)ccc2O)c1
InChIInChI=1S/C13H11BrN2O/c1-9-4-5-15-13(6-9)16-8-10-7-11(14)2-3-12(10)17/h2-8,17H,1H3/b16-8+
InChIKeyUZJZVPXYNRSYAJ-LZYBPNLTSA-N
MW291.15 g/mol
LogP3.61
Rot. Bonds2

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

4-bromo-2-[(4-methyl-2-pyridinyl)iminomethyl]phenol (PubChem CID 869448) has the molecular formula C13H11BrN2O and a molecular weight of 291.15 g/mol. Its IUPAC name is 4-bromo-2-[(4-methyl-2-pyridinyl)iminomethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(4-methyl-2-pyridinyl)iminomethyl]phenol
PubChem CID869448
Molecular FormulaC13H11BrN2O
Molecular Weight291.15 g/mol
Exact Mass290.01
IUPAC Name4-bromo-2-[(4-methyl-2-pyridinyl)iminomethyl]phenol
SMILESCc1ccnc(/N=C/c2cc(Br)ccc2O)c1
InChIInChI=1S/C13H11BrN2O/c1-9-4-5-15-13(6-9)16-8-10-7-11(14)2-3-12(10)17/h2-8,17H,1H3/b16-8+
InChIKeyUZJZVPXYNRSYAJ-LZYBPNLTSA-N
XLogP3.61
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.15
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

copper;bis(2-[(4-methyl-2-pyridinyl)iminomethyl]phenol)
CID 137200643
2,4-dichloro-6-[(4-methyl-2-pyridinyl)iminomethyl]phenol
CID 135759374
4-bromo-2-[(4-bromo-2-methylphenyl)iminomethyl]phenol
CID 135657405
copper bis(2-[(4-methyl-2-pyridinyl)iminomethyl]phenolate)
CID 45049441
1-[(4-methyl-2-pyridinyl)iminomethyl]naphthalen-2-ol
CID 809927
2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol
CID 135633918
1-(2,4-dichlorophenyl)-N-(4-methyl-2-pyridinyl)methanimine
CID 132602552
2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4,6-dimethylphenol
CID 779396
2-[(5-bromoquinolin-8-yl)iminomethyl]-4-methylphenol
CID 4191930
4-bromo-2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)iminomethyl]phenol
CID 1281263
ethane;N-hydroxy-N'-(4-methyl-2-pyridinyl)methanimidamide
CID 170575859
4-bromo-2-[(Z)-(3,5-dimethyl-1,2,4-triazol-4-yl)iminomethyl]phenol
CID 135844835

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(4-methyl-2-pyridinyl)iminomethyl]phenol?
The IUPAC name of 4-bromo-2-[(4-methyl-2-pyridinyl)iminomethyl]phenol (CID 869448) is 4-bromo-2-[(4-methyl-2-pyridinyl)iminomethyl]phenol.
What is the SMILES notation for 4-bromo-2-[(4-methyl-2-pyridinyl)iminomethyl]phenol?
The canonical SMILES for 4-bromo-2-[(4-methyl-2-pyridinyl)iminomethyl]phenol is Cc1ccnc(/N=C/c2cc(Br)ccc2O)c1.
What is the InChIKey of 4-bromo-2-[(4-methyl-2-pyridinyl)iminomethyl]phenol?
The InChIKey is UZJZVPXYNRSYAJ-LZYBPNLTSA-N. The full InChI is InChI=1S/C13H11BrN2O/c1-9-4-5-15-13(6-9)16-8-10-7-11(14)2-3-12(10)17/h2-8,17H,1H3/b16-8+.
What are the key properties of 4-bromo-2-[(4-methyl-2-pyridinyl)iminomethyl]phenol?
4-bromo-2-[(4-methyl-2-pyridinyl)iminomethyl]phenol has a molecular weight of 291.15 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(4-methyl-2-pyridinyl)iminomethyl]phenol is sourced from PubChem (CID 869448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).