4-chloro-3-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzoic acid

C14H12ClN3O2 — CID 8973589

IUPAC4-chloro-3-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzoic acid
SMILESC/C(=N/Nc1cc(C(=O)O)ccc1Cl)c1ccccn1
InChIInChI=1S/C14H12ClN3O2/c1-9(12-4-2-3-7-16-12)17-18-13-8-10(14(19)20)5-6-11(13)15/h2-8,18H,1H3,(H,19,20)/b17-9-
InChIKeyAUGVLDYTFCAWAB-MFOYZWKCSA-N
MW289.72 g/mol
LogP3.27
Rot. Bonds4

About 4-chloro-3-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzoic acid

4-chloro-3-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzoic acid (PubChem CID 8973589) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is 4-chloro-3-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzoic acid.

Molecular Properties

Compound Name4-chloro-3-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzoic acid
PubChem CID8973589
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC Name4-chloro-3-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzoic acid
SMILESC/C(=N/Nc1cc(C(=O)O)ccc1Cl)c1ccccn1
InChIInChI=1S/C14H12ClN3O2/c1-9(12-4-2-3-7-16-12)17-18-13-8-10(14(19)20)5-6-11(13)15/h2-8,18H,1H3,(H,19,20)/b17-9-
InChIKeyAUGVLDYTFCAWAB-MFOYZWKCSA-N
XLogP3.27
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3,4-dichloro-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 773914
4-chloro-3-[(2Z)-2-[1-(2,6-difluorophenyl)ethylidene]hydrazinyl]benzoic acid
CID 8973586
4-chloro-3-[(2Z)-2-[1-[4-(dimethylamino)phenyl]ethylidene]hydrazinyl]benzoic acid
CID 8974194
4-[(E)-N-(2-chloroanilino)-C-methylcarbonimidoyl]benzoic acid
CID 154860919
4-methyl-3-(pyridine-2-carbonylamino)benzoic acid
CID 16771811
4-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzoate
CID 7744968
4-chloro-3-[(2Z)-2-[1-[4-(dimethylsulfamoyl)phenyl]ethylidene]hydrazinyl]benzoic acid
CID 8973961
3-chloro-4-fluoro-N-[(E)-1-pyridin-2-ylethylideneamino]aniline
CID 7350198
6-[(2,5-dichlorophenyl)hydrazinylidene]-6-pyridin-2-ylhexanoic acid
CID 4728718
2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]acetic acid
CID 165352086
2-chloro-N-(1-phenylethylideneamino)-5-(trifluoromethyl)aniline
CID 3312956
3-[(2-hydroxybenzoyl)amino]-4-(pyridine-2-carbonylamino)benzoic acid
CID 154791964

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzoic acid?
The IUPAC name of 4-chloro-3-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzoic acid (CID 8973589) is 4-chloro-3-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzoic acid.
What is the SMILES notation for 4-chloro-3-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzoic acid?
The canonical SMILES for 4-chloro-3-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzoic acid is C/C(=N/Nc1cc(C(=O)O)ccc1Cl)c1ccccn1.
What is the InChIKey of 4-chloro-3-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzoic acid?
The InChIKey is AUGVLDYTFCAWAB-MFOYZWKCSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c1-9(12-4-2-3-7-16-12)17-18-13-8-10(14(19)20)5-6-11(13)15/h2-8,18H,1H3,(H,19,20)/b17-9-.
What are the key properties of 4-chloro-3-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzoic acid?
4-chloro-3-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzoic acid has a molecular weight of 289.72 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzoic acid is sourced from PubChem (CID 8973589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).