2,3-dimethoxy-6-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]benzoic acid

C16H15N3O5 — CID 6871212

IUPAC2,3-dimethoxy-6-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]benzoic acid
SMILESCOc1ccc(/C=N/NC(=O)c2ccncc2)c(C(=O)O)c1OC
InChIInChI=1S/C16H15N3O5/c1-23-12-4-3-11(13(16(21)22)14(12)24-2)9-18-19-15(20)10-5-7-17-8-6-10/h3-9H,1-2H3,(H,19,20)(H,21,22)/b18-9+
InChIKeyHSYFNANHKYNZNI-GIJQJNRQSA-N
MW329.31 g/mol
LogP1.56
Rot. Bonds6

About 2,3-dimethoxy-6-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]benzoic acid

2,3-dimethoxy-6-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]benzoic acid (PubChem CID 6871212) has the molecular formula C16H15N3O5 and a molecular weight of 329.31 g/mol. Its IUPAC name is 2,3-dimethoxy-6-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]benzoic acid.

Molecular Properties

Compound Name2,3-dimethoxy-6-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]benzoic acid
PubChem CID6871212
Molecular FormulaC16H15N3O5
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC Name2,3-dimethoxy-6-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]benzoic acid
SMILESCOc1ccc(/C=N/NC(=O)c2ccncc2)c(C(=O)O)c1OC
InChIInChI=1S/C16H15N3O5/c1-23-12-4-3-11(13(16(21)22)14(12)24-2)9-18-19-15(20)10-5-7-17-8-6-10/h3-9H,1-2H3,(H,19,20)(H,21,22)/b18-9+
InChIKeyHSYFNANHKYNZNI-GIJQJNRQSA-N
XLogP1.56
TPSA110.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-6-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]benzoic acid?
The IUPAC name of 2,3-dimethoxy-6-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]benzoic acid (CID 6871212) is 2,3-dimethoxy-6-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]benzoic acid.
What is the SMILES notation for 2,3-dimethoxy-6-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]benzoic acid?
The canonical SMILES for 2,3-dimethoxy-6-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]benzoic acid is COc1ccc(/C=N/NC(=O)c2ccncc2)c(C(=O)O)c1OC.
What is the InChIKey of 2,3-dimethoxy-6-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]benzoic acid?
The InChIKey is HSYFNANHKYNZNI-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H15N3O5/c1-23-12-4-3-11(13(16(21)22)14(12)24-2)9-18-19-15(20)10-5-7-17-8-6-10/h3-9H,1-2H3,(H,19,20)(H,21,22)/b18-9+.
What are the key properties of 2,3-dimethoxy-6-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]benzoic acid?
2,3-dimethoxy-6-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]benzoic acid has a molecular weight of 329.31 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-6-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]benzoic acid is sourced from PubChem (CID 6871212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).