2-hydroxy-4-[[2-(pyridine-4-carbonyl)hydrazinyl]methylideneamino]benzoic acid

C14H12N4O4 — CID 16729025

IUPAC2-hydroxy-4-[[2-(pyridine-4-carbonyl)hydrazinyl]methylideneamino]benzoic acid
SMILESO=C(NN/C=N/c1ccc(C(=O)O)c(O)c1)c1ccncc1
InChIInChI=1S/C14H12N4O4/c19-12-7-10(1-2-11(12)14(21)22)16-8-17-18-13(20)9-3-5-15-6-4-9/h1-8,19H,(H,16,17)(H,18,20)(H,21,22)
InChIKeyHKCGCJVEXDQUOU-UHFFFAOYSA-N
MW300.27 g/mol
LogP1.08
Rot. Bonds5

About 2-hydroxy-4-[[2-(pyridine-4-carbonyl)hydrazinyl]methylideneamino]benzoic acid

2-hydroxy-4-[[2-(pyridine-4-carbonyl)hydrazinyl]methylideneamino]benzoic acid (PubChem CID 16729025) has the molecular formula C14H12N4O4 and a molecular weight of 300.27 g/mol. Its IUPAC name is 2-hydroxy-4-[[2-(pyridine-4-carbonyl)hydrazinyl]methylideneamino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[[2-(pyridine-4-carbonyl)hydrazinyl]methylideneamino]benzoic acid
PubChem CID16729025
Molecular FormulaC14H12N4O4
Molecular Weight300.27 g/mol
Exact Mass300.09
IUPAC Name2-hydroxy-4-[[2-(pyridine-4-carbonyl)hydrazinyl]methylideneamino]benzoic acid
SMILESO=C(NN/C=N/c1ccc(C(=O)O)c(O)c1)c1ccncc1
InChIInChI=1S/C14H12N4O4/c19-12-7-10(1-2-11(12)14(21)22)16-8-17-18-13(20)9-3-5-15-6-4-9/h1-8,19H,(H,16,17)(H,18,20)(H,21,22)
InChIKeyHKCGCJVEXDQUOU-UHFFFAOYSA-N
XLogP1.08
TPSA123.91 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 51.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(4-(diethylamino)-2-hydroxybenzylidene)isonicotinohydrazide
CID 135400298
2-hydroxy-4-(1H-pyrrol-1-yl)benzoic acid
CID 648800
Pasiniazid
CID 16367
2-Hydroxy-4-[(pyridine-4-carbonylamino)carbamothioylamino]benzoic acid
CID 3758320
N-[(E)-(3-hydroxyanilino)methyleneamino]pyridine-4-carboxamide
CID 56933893
2-hydroxy-4-[[(E)-pyrazine-2-carbonyliminomethyl]amino]benzoic acid
CID 135771892
4-amino-2-hydroxy-benzoic acid; N-[(E)-[1-amino-2-(4-methylphenoxy)ethylidene]amino]pyridine-4-carboxamide
CID 9575773
2-hydroxy-4-[(E)-2-pyridylmethyleneamino]benzoic acid
CID 15954138
N'-(5-amino-2-hydroxybenzoyl)pyridine-4-carbohydrazide
CID 171354820
(Z)-N'-(4-(diethylamino)-2-hydroxybenzylidene)isonicotinohydrazide
CID 135754048
4-(Nicotinylamino)-salicylic acid
CID 506612
Vadrine
CID 3083806

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[[2-(pyridine-4-carbonyl)hydrazinyl]methylideneamino]benzoic acid?
The IUPAC name of 2-hydroxy-4-[[2-(pyridine-4-carbonyl)hydrazinyl]methylideneamino]benzoic acid (CID 16729025) is 2-hydroxy-4-[[2-(pyridine-4-carbonyl)hydrazinyl]methylideneamino]benzoic acid.
What is the SMILES notation for 2-hydroxy-4-[[2-(pyridine-4-carbonyl)hydrazinyl]methylideneamino]benzoic acid?
The canonical SMILES for 2-hydroxy-4-[[2-(pyridine-4-carbonyl)hydrazinyl]methylideneamino]benzoic acid is O=C(NN/C=N/c1ccc(C(=O)O)c(O)c1)c1ccncc1.
What is the InChIKey of 2-hydroxy-4-[[2-(pyridine-4-carbonyl)hydrazinyl]methylideneamino]benzoic acid?
The InChIKey is HKCGCJVEXDQUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O4/c19-12-7-10(1-2-11(12)14(21)22)16-8-17-18-13(20)9-3-5-15-6-4-9/h1-8,19H,(H,16,17)(H,18,20)(H,21,22).
What are the key properties of 2-hydroxy-4-[[2-(pyridine-4-carbonyl)hydrazinyl]methylideneamino]benzoic acid?
2-hydroxy-4-[[2-(pyridine-4-carbonyl)hydrazinyl]methylideneamino]benzoic acid has a molecular weight of 300.27 g/mol, XLogP of 1.08, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[[2-(pyridine-4-carbonyl)hydrazinyl]methylideneamino]benzoic acid is sourced from PubChem (CID 16729025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).