2,4-dichloro-6-[(E)-(3-methyl-2-pyridinyl)iminomethyl]phenol

C13H10Cl2N2O — CID 135520570

IUPAC2,4-dichloro-6-[(E)-(3-methyl-2-pyridinyl)iminomethyl]phenol
SMILESCc1cccnc1/N=C/c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C13H10Cl2N2O/c1-8-3-2-4-16-13(8)17-7-9-5-10(14)6-11(15)12(9)18/h2-7,18H,1H3/b17-7+
InChIKeyVCXZQGDTXWIURI-REZTVBANSA-N
MW281.14 g/mol
LogP4.15
Rot. Bonds2

About 2,4-dichloro-6-[(E)-(3-methyl-2-pyridinyl)iminomethyl]phenol

2,4-dichloro-6-[(E)-(3-methyl-2-pyridinyl)iminomethyl]phenol (PubChem CID 135520570) has the molecular formula C13H10Cl2N2O and a molecular weight of 281.14 g/mol. Its IUPAC name is 2,4-dichloro-6-[(E)-(3-methyl-2-pyridinyl)iminomethyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(E)-(3-methyl-2-pyridinyl)iminomethyl]phenol
PubChem CID135520570
Molecular FormulaC13H10Cl2N2O
Molecular Weight281.14 g/mol
Exact Mass280.02
IUPAC Name2,4-dichloro-6-[(E)-(3-methyl-2-pyridinyl)iminomethyl]phenol
SMILESCc1cccnc1/N=C/c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C13H10Cl2N2O/c1-8-3-2-4-16-13(8)17-7-9-5-10(14)6-11(15)12(9)18/h2-7,18H,1H3/b17-7+
InChIKeyVCXZQGDTXWIURI-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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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(E)-(3-methyl-2-pyridinyl)iminomethyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(E)-(3-methyl-2-pyridinyl)iminomethyl]phenol (CID 135520570) is 2,4-dichloro-6-[(E)-(3-methyl-2-pyridinyl)iminomethyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(E)-(3-methyl-2-pyridinyl)iminomethyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(E)-(3-methyl-2-pyridinyl)iminomethyl]phenol is Cc1cccnc1/N=C/c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2,4-dichloro-6-[(E)-(3-methyl-2-pyridinyl)iminomethyl]phenol?
The InChIKey is VCXZQGDTXWIURI-REZTVBANSA-N. The full InChI is InChI=1S/C13H10Cl2N2O/c1-8-3-2-4-16-13(8)17-7-9-5-10(14)6-11(15)12(9)18/h2-7,18H,1H3/b17-7+.
What are the key properties of 2,4-dichloro-6-[(E)-(3-methyl-2-pyridinyl)iminomethyl]phenol?
2,4-dichloro-6-[(E)-(3-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-[(E)-(3-methyl-2-pyridinyl)iminomethyl]phenol is sourced from PubChem (CID 135520570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).