2,4-dichloro-6-[(4-methyl-2-pyridinyl)iminomethyl]phenol

C13H10Cl2N2O — CID 135759374

IUPAC2,4-dichloro-6-[(4-methyl-2-pyridinyl)iminomethyl]phenol
SMILESCc1ccnc(/N=C/c2cc(Cl)cc(Cl)c2O)c1
InChIInChI=1S/C13H10Cl2N2O/c1-8-2-3-16-12(4-8)17-7-9-5-10(14)6-11(15)13(9)18/h2-7,18H,1H3/b17-7+
InChIKeyOQMRHKPEHSWTHA-REZTVBANSA-N
MW281.14 g/mol
LogP4.15
Rot. Bonds2

About 2,4-dichloro-6-[(4-methyl-2-pyridinyl)iminomethyl]phenol

2,4-dichloro-6-[(4-methyl-2-pyridinyl)iminomethyl]phenol (PubChem CID 135759374) has the molecular formula C13H10Cl2N2O and a molecular weight of 281.14 g/mol. Its IUPAC name is 2,4-dichloro-6-[(4-methyl-2-pyridinyl)iminomethyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(4-methyl-2-pyridinyl)iminomethyl]phenol
PubChem CID135759374
Molecular FormulaC13H10Cl2N2O
Molecular Weight281.14 g/mol
Exact Mass280.02
IUPAC Name2,4-dichloro-6-[(4-methyl-2-pyridinyl)iminomethyl]phenol
SMILESCc1ccnc(/N=C/c2cc(Cl)cc(Cl)c2O)c1
InChIInChI=1S/C13H10Cl2N2O/c1-8-2-3-16-12(4-8)17-7-9-5-10(14)6-11(15)13(9)18/h2-7,18H,1H3/b17-7+
InChIKeyOQMRHKPEHSWTHA-REZTVBANSA-N
XLogP4.15
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 54.15
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

1-(2,4-dichlorophenyl)-N-(4-methyl-2-pyridinyl)methanimine
CID 132602552
2,4-dichloro-6-[(2,5-dimethylphenyl)iminomethyl]phenol
CID 710319
copper;bis(2-[(4-methyl-2-pyridinyl)iminomethyl]phenol)
CID 137200643
2,4-dichloro-6-[[4-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol
CID 3279697
2,4-dichloro-6-[(3,5-dimethylphenyl)iminomethyl]phenol
CID 709091
4-bromo-2-[(4-methyl-2-pyridinyl)iminomethyl]phenol
CID 869448
2,4-dichloro-6-[(3-chlorophenyl)iminomethyl]phenol
CID 710336
2-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol
CID 590757
copper bis(2-[(4-methyl-2-pyridinyl)iminomethyl]phenolate)
CID 45049441
4-chloro-2-[(E)-isoquinolin-3-yliminomethyl]-6-methylphenol
CID 136622463
2,4-dichloro-6-[(E)-hydrazinylidenemethyl]phenol
CID 135445572
2,4-dichloro-6-[(4-propoxyphenyl)iminomethyl]phenol
CID 4662873

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(4-methyl-2-pyridinyl)iminomethyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(4-methyl-2-pyridinyl)iminomethyl]phenol (CID 135759374) is 2,4-dichloro-6-[(4-methyl-2-pyridinyl)iminomethyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(4-methyl-2-pyridinyl)iminomethyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(4-methyl-2-pyridinyl)iminomethyl]phenol is Cc1ccnc(/N=C/c2cc(Cl)cc(Cl)c2O)c1.
What is the InChIKey of 2,4-dichloro-6-[(4-methyl-2-pyridinyl)iminomethyl]phenol?
The InChIKey is OQMRHKPEHSWTHA-REZTVBANSA-N. The full InChI is InChI=1S/C13H10Cl2N2O/c1-8-2-3-16-12(4-8)17-7-9-5-10(14)6-11(15)13(9)18/h2-7,18H,1H3/b17-7+.
What are the key properties of 2,4-dichloro-6-[(4-methyl-2-pyridinyl)iminomethyl]phenol?
2,4-dichloro-6-[(4-methyl-2-pyridinyl)iminomethyl]phenol has a molecular weight of 281.14 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(4-methyl-2-pyridinyl)iminomethyl]phenol is sourced from PubChem (CID 135759374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).