3-[[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]methyl]-4,6-dimethyl-1H-pyridin-2-one

C15H14Cl2N2O2 — CID 135597139

IUPAC3-[[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]methyl]-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C)c(C/N=C/c2cc(Cl)cc(Cl)c2O)c(=O)[nH]1
InChIInChI=1S/C15H14Cl2N2O2/c1-8-3-9(2)19-15(21)12(8)7-18-6-10-4-11(16)5-13(17)14(10)20/h3-6,20H,7H2,1-2H3,(H,19,21)/b18-6+
InChIKeyMCROTPWRZSMFMH-NGYBGAFCSA-N
MW325.20 g/mol
LogP3.62
Rot. Bonds3

About 3-[[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]methyl]-4,6-dimethyl-1H-pyridin-2-one

3-[[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]methyl]-4,6-dimethyl-1H-pyridin-2-one (PubChem CID 135597139) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.20 g/mol. Its IUPAC name is 3-[[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]methyl]-4,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]methyl]-4,6-dimethyl-1H-pyridin-2-one
PubChem CID135597139
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.20 g/mol
Exact Mass324.04
IUPAC Name3-[[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]methyl]-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C)c(C/N=C/c2cc(Cl)cc(Cl)c2O)c(=O)[nH]1
InChIInChI=1S/C15H14Cl2N2O2/c1-8-3-9(2)19-15(21)12(8)7-18-6-10-4-11(16)5-13(17)14(10)20/h3-6,20H,7H2,1-2H3,(H,19,21)/b18-6+
InChIKeyMCROTPWRZSMFMH-NGYBGAFCSA-N
XLogP3.62
TPSA65.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 53.62
H-Bond Donors ≤ 52
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 3-[[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]methyl]-4,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 3-[[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]methyl]-4,6-dimethyl-1H-pyridin-2-one (CID 135597139) is 3-[[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]methyl]-4,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]methyl]-4,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 3-[[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]methyl]-4,6-dimethyl-1H-pyridin-2-one is Cc1cc(C)c(C/N=C/c2cc(Cl)cc(Cl)c2O)c(=O)[nH]1.
What is the InChIKey of 3-[[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]methyl]-4,6-dimethyl-1H-pyridin-2-one?
The InChIKey is MCROTPWRZSMFMH-NGYBGAFCSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c1-8-3-9(2)19-15(21)12(8)7-18-6-10-4-11(16)5-13(17)14(10)20/h3-6,20H,7H2,1-2H3,(H,19,21)/b18-6+.
What are the key properties of 3-[[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]methyl]-4,6-dimethyl-1H-pyridin-2-one?
3-[[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]methyl]-4,6-dimethyl-1H-pyridin-2-one has a molecular weight of 325.20 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]methyl]-4,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 135597139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).