3-[(5-bromo-2-hydroxyphenyl)methylideneamino]-6-methyl-4-phenyl-1H-pyridin-2-one

C19H15BrN2O2 — CID 155908554

IUPAC3-[(5-bromo-2-hydroxyphenyl)methylideneamino]-6-methyl-4-phenyl-1H-pyridin-2-one
SMILESCc1cc(-c2ccccc2)c(/N=C/c2cc(Br)ccc2O)c(=O)[nH]1
InChIInChI=1S/C19H15BrN2O2/c1-12-9-16(13-5-3-2-4-6-13)18(19(24)22-12)21-11-14-10-15(20)7-8-17(14)23/h2-11,23H,1H3,(H,22,24)/b21-11+
InChIKeyZCFNSBMUOATHPK-SRZZPIQSSA-N
MW383.25 g/mol
LogP4.57
Rot. Bonds3

About 3-[(5-bromo-2-hydroxyphenyl)methylideneamino]-6-methyl-4-phenyl-1H-pyridin-2-one

3-[(5-bromo-2-hydroxyphenyl)methylideneamino]-6-methyl-4-phenyl-1H-pyridin-2-one (PubChem CID 155908554) has the molecular formula C19H15BrN2O2 and a molecular weight of 383.25 g/mol. Its IUPAC name is 3-[(5-bromo-2-hydroxyphenyl)methylideneamino]-6-methyl-4-phenyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(5-bromo-2-hydroxyphenyl)methylideneamino]-6-methyl-4-phenyl-1H-pyridin-2-one
PubChem CID155908554
Molecular FormulaC19H15BrN2O2
Molecular Weight383.25 g/mol
Exact Mass382.03
IUPAC Name3-[(5-bromo-2-hydroxyphenyl)methylideneamino]-6-methyl-4-phenyl-1H-pyridin-2-one
SMILESCc1cc(-c2ccccc2)c(/N=C/c2cc(Br)ccc2O)c(=O)[nH]1
InChIInChI=1S/C19H15BrN2O2/c1-12-9-16(13-5-3-2-4-6-13)18(19(24)22-12)21-11-14-10-15(20)7-8-17(14)23/h2-11,23H,1H3,(H,22,24)/b21-11+
InChIKeyZCFNSBMUOATHPK-SRZZPIQSSA-N
XLogP4.57
TPSA65.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(5-bromo-2-hydroxyphenyl)methylideneamino]-6-methyl-4-phenyl-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-hydroxyphenyl)methylideneamino]-6-methyl-4-phenyl-1H-pyridin-2-one?
The IUPAC name of 3-[(5-bromo-2-hydroxyphenyl)methylideneamino]-6-methyl-4-phenyl-1H-pyridin-2-one (CID 155908554) is 3-[(5-bromo-2-hydroxyphenyl)methylideneamino]-6-methyl-4-phenyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[(5-bromo-2-hydroxyphenyl)methylideneamino]-6-methyl-4-phenyl-1H-pyridin-2-one?
The canonical SMILES for 3-[(5-bromo-2-hydroxyphenyl)methylideneamino]-6-methyl-4-phenyl-1H-pyridin-2-one is Cc1cc(-c2ccccc2)c(/N=C/c2cc(Br)ccc2O)c(=O)[nH]1.
What is the InChIKey of 3-[(5-bromo-2-hydroxyphenyl)methylideneamino]-6-methyl-4-phenyl-1H-pyridin-2-one?
The InChIKey is ZCFNSBMUOATHPK-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H15BrN2O2/c1-12-9-16(13-5-3-2-4-6-13)18(19(24)22-12)21-11-14-10-15(20)7-8-17(14)23/h2-11,23H,1H3,(H,22,24)/b21-11+.
What are the key properties of 3-[(5-bromo-2-hydroxyphenyl)methylideneamino]-6-methyl-4-phenyl-1H-pyridin-2-one?
3-[(5-bromo-2-hydroxyphenyl)methylideneamino]-6-methyl-4-phenyl-1H-pyridin-2-one has a molecular weight of 383.25 g/mol, XLogP of 4.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-hydroxyphenyl)methylideneamino]-6-methyl-4-phenyl-1H-pyridin-2-one is sourced from PubChem (CID 155908554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).