3-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-4-hydroxy-6-methylpyran-2-one

C13H11FN2O3 — CID 136765216

IUPAC3-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-4-hydroxy-6-methylpyran-2-one
SMILESCc1cc(O)c(/C=N\Nc2ccc(F)cc2)c(=O)o1
InChIInChI=1S/C13H11FN2O3/c1-8-6-12(17)11(13(18)19-8)7-15-16-10-4-2-9(14)3-5-10/h2-7,16-17H,1H3/b15-7-
InChIKeyTWTKKPWBRLUSME-CHHVJCJISA-N
MW262.24 g/mol
LogP2.24
Rot. Bonds3

About 3-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-4-hydroxy-6-methylpyran-2-one

3-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-4-hydroxy-6-methylpyran-2-one (PubChem CID 136765216) has the molecular formula C13H11FN2O3 and a molecular weight of 262.24 g/mol. Its IUPAC name is 3-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-4-hydroxy-6-methylpyran-2-one.

Molecular Properties

Compound Name3-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-4-hydroxy-6-methylpyran-2-one
PubChem CID136765216
Molecular FormulaC13H11FN2O3
Molecular Weight262.24 g/mol
Exact Mass262.08
IUPAC Name3-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-4-hydroxy-6-methylpyran-2-one
SMILESCc1cc(O)c(/C=N\Nc2ccc(F)cc2)c(=O)o1
InChIInChI=1S/C13H11FN2O3/c1-8-6-12(17)11(13(18)19-8)7-15-16-10-4-2-9(14)3-5-10/h2-7,16-17H,1H3/b15-7-
InChIKeyTWTKKPWBRLUSME-CHHVJCJISA-N
XLogP2.24
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-6-methyl-3-[(E)-[(3-nitrophenyl)hydrazinylidene]methyl]pyran-2-one
CID 135777568
4-hydroxy-6-methyl-2-oxopyran-3-carbaldehyde
CID 135399133
4-hydroxy-3-[(2-methoxyphenyl)iminomethyl]-6-methylpyran-2-one
CID 135496555
4-hydroxy-6-methyl-3-[(4-propan-2-ylphenyl)iminomethyl]pyran-2-one
CID 135420867
4-fluoro-N-[(Z)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]benzenesulfonamide
CID 135958014
1-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)methylidene]-3-(2-methoxyphenyl)thiourea
CID 135547722
4-hydroxy-6-methyl-3-[(Z)-(4-methylphenyl)methoxyiminomethyl]pyran-2-one
CID 136802315
1-(2,3-dimethylphenyl)-3-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)methylidene]thiourea
CID 135441860
4-hydroxy-3-[(E)-N-(4-iodoanilino)-C-methylcarbonimidoyl]-6-methylpyran-2-one
CID 170996892
4-fluoro-2-[(phenylhydrazinylidene)methyl]phenol
CID 169381557
N-[(E)-(2-bromo-4-methylphenyl)methylideneamino]-4-fluoroaniline
CID 11301243
5-[(Z)-[(3,4-dimethylphenyl)hydrazinylidene]methyl]-6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one
CID 137273054

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-4-hydroxy-6-methylpyran-2-one?
The IUPAC name of 3-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-4-hydroxy-6-methylpyran-2-one (CID 136765216) is 3-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-4-hydroxy-6-methylpyran-2-one.
What is the SMILES notation for 3-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-4-hydroxy-6-methylpyran-2-one?
The canonical SMILES for 3-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-4-hydroxy-6-methylpyran-2-one is Cc1cc(O)c(/C=N\Nc2ccc(F)cc2)c(=O)o1.
What is the InChIKey of 3-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-4-hydroxy-6-methylpyran-2-one?
The InChIKey is TWTKKPWBRLUSME-CHHVJCJISA-N. The full InChI is InChI=1S/C13H11FN2O3/c1-8-6-12(17)11(13(18)19-8)7-15-16-10-4-2-9(14)3-5-10/h2-7,16-17H,1H3/b15-7-.
What are the key properties of 3-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-4-hydroxy-6-methylpyran-2-one?
3-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-4-hydroxy-6-methylpyran-2-one has a molecular weight of 262.24 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-[(4-fluorophenyl)hydrazinylidene]methyl]-4-hydroxy-6-methylpyran-2-one is sourced from PubChem (CID 136765216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).