2-[4-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]phenoxy]propanoic acid

C16H15N3O4 — CID 44714938

IUPAC2-[4-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]phenoxy]propanoic acid
SMILESCC(Oc1ccc(/C=N/NC(=O)c2cccnc2)cc1)C(=O)O
InChIInChI=1S/C16H15N3O4/c1-11(16(21)22)23-14-6-4-12(5-7-14)9-18-19-15(20)13-3-2-8-17-10-13/h2-11H,1H3,(H,19,20)(H,21,22)/b18-9+
InChIKeyBBKNRFVRQIWYAO-GIJQJNRQSA-N
MW313.31 g/mol
LogP1.70
Rot. Bonds6

About 2-[4-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]phenoxy]propanoic acid

2-[4-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]phenoxy]propanoic acid (PubChem CID 44714938) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 2-[4-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]phenoxy]propanoic acid.

Molecular Properties

Compound Name2-[4-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]phenoxy]propanoic acid
PubChem CID44714938
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name2-[4-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]phenoxy]propanoic acid
SMILESCC(Oc1ccc(/C=N/NC(=O)c2cccnc2)cc1)C(=O)O
InChIInChI=1S/C16H15N3O4/c1-11(16(21)22)23-14-6-4-12(5-7-14)9-18-19-15(20)13-3-2-8-17-10-13/h2-11H,1H3,(H,19,20)(H,21,22)/b18-9+
InChIKeyBBKNRFVRQIWYAO-GIJQJNRQSA-N
XLogP1.70
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.70
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-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] benzoate
CID 5369591
(2R)-2-[4-[(Z)-(benzoylhydrazinylidene)methyl]phenoxy]propanoate
CID 6957334
[4-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 3-(4-methoxyphenyl)prop-2-enoate
CID 3965580
N-[[3-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-3-carboxamide
CID 1379516
N-[(Z)-naphthalen-2-ylmethylideneamino]pyridine-3-carboxamide
CID 5399469
N-[(E)-(4-cyanophenyl)methylideneamino]pyridine-3-carboxamide
CID 6895632
[4-[(2-phenoxypropanoylhydrazinylidene)methyl]phenyl] benzoate
CID 4633646
[4-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 3-chlorobenzoate
CID 4522806
(2R)-2-[4-[(E)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]propanoic acid
CID 124649475
N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]pyridine-3-carboxamide
CID 126111355
N-[(Z)-[2-(2-methylpropoxy)phenyl]methylideneamino]pyridine-3-carboxamide
CID 110510127
N-[[2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]pyridine-3-carboxamide
CID 5060997

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]phenoxy]propanoic acid?
The IUPAC name of 2-[4-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]phenoxy]propanoic acid (CID 44714938) is 2-[4-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]phenoxy]propanoic acid.
What is the SMILES notation for 2-[4-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]phenoxy]propanoic acid?
The canonical SMILES for 2-[4-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]phenoxy]propanoic acid is CC(Oc1ccc(/C=N/NC(=O)c2cccnc2)cc1)C(=O)O.
What is the InChIKey of 2-[4-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]phenoxy]propanoic acid?
The InChIKey is BBKNRFVRQIWYAO-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-11(16(21)22)23-14-6-4-12(5-7-14)9-18-19-15(20)13-3-2-8-17-10-13/h2-11H,1H3,(H,19,20)(H,21,22)/b18-9+.
What are the key properties of 2-[4-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]phenoxy]propanoic acid?
2-[4-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]phenoxy]propanoic acid has a molecular weight of 313.31 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]phenoxy]propanoic acid is sourced from PubChem (CID 44714938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).