2-[[2-hydroxy-4-[(5-methylsulfonyl-2-pyridinyl)oxy]phenyl]hydrazinylidene]propanoic acid

C15H15N3O6S — CID 87649173

IUPAC2-[[2-hydroxy-4-[(5-methylsulfonyl-2-pyridinyl)oxy]phenyl]hydrazinylidene]propanoic acid
SMILESCC(=NNc1ccc(Oc2ccc(S(C)(=O)=O)cn2)cc1O)C(=O)O
InChIInChI=1S/C15H15N3O6S/c1-9(15(20)21)17-18-12-5-3-10(7-13(12)19)24-14-6-4-11(8-16-14)25(2,22)23/h3-8,18-19H,1-2H3,(H,20,21)
InChIKeyDMTOYWMXTKMZHX-UHFFFAOYSA-N
MW365.37 g/mol
LogP1.86
Rot. Bonds6

About 2-[[2-hydroxy-4-[(5-methylsulfonyl-2-pyridinyl)oxy]phenyl]hydrazinylidene]propanoic acid

2-[[2-hydroxy-4-[(5-methylsulfonyl-2-pyridinyl)oxy]phenyl]hydrazinylidene]propanoic acid (PubChem CID 87649173) has the molecular formula C15H15N3O6S and a molecular weight of 365.37 g/mol. Its IUPAC name is 2-[[2-hydroxy-4-[(5-methylsulfonyl-2-pyridinyl)oxy]phenyl]hydrazinylidene]propanoic acid.

Molecular Properties

Compound Name2-[[2-hydroxy-4-[(5-methylsulfonyl-2-pyridinyl)oxy]phenyl]hydrazinylidene]propanoic acid
PubChem CID87649173
Molecular FormulaC15H15N3O6S
Molecular Weight365.37 g/mol
Exact Mass365.07
IUPAC Name2-[[2-hydroxy-4-[(5-methylsulfonyl-2-pyridinyl)oxy]phenyl]hydrazinylidene]propanoic acid
SMILESCC(=NNc1ccc(Oc2ccc(S(C)(=O)=O)cn2)cc1O)C(=O)O
InChIInChI=1S/C15H15N3O6S/c1-9(15(20)21)17-18-12-5-3-10(7-13(12)19)24-14-6-4-11(8-16-14)25(2,22)23/h3-8,18-19H,1-2H3,(H,20,21)
InChIKeyDMTOYWMXTKMZHX-UHFFFAOYSA-N
XLogP1.86
TPSA138.18 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-methylsulfonyloxy-4-[(5-methylsulfonyl-2-pyridinyl)oxy]phenyl]hydrazinylidene]propanoic acid
CID 87649945
ethyl (2Z)-2-[[2-methylsulfonyloxy-4-[(5-methylsulfonyl-2-pyridinyl)oxy]phenyl]hydrazinylidene]propanoate
CID 87275550
[4-[(5-methylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone
CID 511923
2-methoxy-5-methylsulfonylpyridine
CID 13433434
N'-hydroxy-6-(4-methylsulfonylphenoxy)pyridine-3-carboximidamide
CID 43807024
6-(3,4-difluorophenoxy)pyridine-3-sulfonamide
CID 112572688
6-(3,5-dimethoxyphenoxy)pyridine-3-sulfonamide
CID 115928101
6-(4-chloro-3-ethylphenoxy)pyridine-3-sulfonamide
CID 115928099
(2Z)-2-[(2,4-difluorophenyl)hydrazinylidene]propanoic acid
CID 21298987
6-(4-ethoxyphenoxy)pyridine-3-sulfonamide
CID 115928029
2-(2-cyclopropylethoxy)-5-methylsulfonylpyridine
CID 123409029
ethyl (2E)-2-[[3-fluoro-2-hydroxy-4-[(6-methylsulfonyl-3-pyridinyl)oxy]phenyl]hydrazinylidene]propanoate
CID 58237022

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-4-[(5-methylsulfonyl-2-pyridinyl)oxy]phenyl]hydrazinylidene]propanoic acid?
The IUPAC name of 2-[[2-hydroxy-4-[(5-methylsulfonyl-2-pyridinyl)oxy]phenyl]hydrazinylidene]propanoic acid (CID 87649173) is 2-[[2-hydroxy-4-[(5-methylsulfonyl-2-pyridinyl)oxy]phenyl]hydrazinylidene]propanoic acid.
What is the SMILES notation for 2-[[2-hydroxy-4-[(5-methylsulfonyl-2-pyridinyl)oxy]phenyl]hydrazinylidene]propanoic acid?
The canonical SMILES for 2-[[2-hydroxy-4-[(5-methylsulfonyl-2-pyridinyl)oxy]phenyl]hydrazinylidene]propanoic acid is CC(=NNc1ccc(Oc2ccc(S(C)(=O)=O)cn2)cc1O)C(=O)O.
What is the InChIKey of 2-[[2-hydroxy-4-[(5-methylsulfonyl-2-pyridinyl)oxy]phenyl]hydrazinylidene]propanoic acid?
The InChIKey is DMTOYWMXTKMZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O6S/c1-9(15(20)21)17-18-12-5-3-10(7-13(12)19)24-14-6-4-11(8-16-14)25(2,22)23/h3-8,18-19H,1-2H3,(H,20,21).
What are the key properties of 2-[[2-hydroxy-4-[(5-methylsulfonyl-2-pyridinyl)oxy]phenyl]hydrazinylidene]propanoic acid?
2-[[2-hydroxy-4-[(5-methylsulfonyl-2-pyridinyl)oxy]phenyl]hydrazinylidene]propanoic acid has a molecular weight of 365.37 g/mol, XLogP of 1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-4-[(5-methylsulfonyl-2-pyridinyl)oxy]phenyl]hydrazinylidene]propanoic acid is sourced from PubChem (CID 87649173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).