6-[(2E)-2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]pyridine-3-carboxylic acid

C20H16ClN3O3 — CID 110505715

IUPAC6-[(2E)-2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)nc1
InChIInChI=1S/C20H16ClN3O3/c21-17-7-4-14(5-8-17)13-27-18-3-1-2-15(10-18)11-23-24-19-9-6-16(12-22-19)20(25)26/h1-12H,13H2,(H,22,24)(H,25,26)/b23-11+
InChIKeyJLEJNCXNFLMLJP-FOKLQQMPSA-N
MW381.82 g/mol
LogP4.46
Rot. Bonds7

About 6-[(2E)-2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]pyridine-3-carboxylic acid

6-[(2E)-2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]pyridine-3-carboxylic acid (PubChem CID 110505715) has the molecular formula C20H16ClN3O3 and a molecular weight of 381.82 g/mol. Its IUPAC name is 6-[(2E)-2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(2E)-2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]pyridine-3-carboxylic acid
PubChem CID110505715
Molecular FormulaC20H16ClN3O3
Molecular Weight381.82 g/mol
Exact Mass381.09
IUPAC Name6-[(2E)-2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)nc1
InChIInChI=1S/C20H16ClN3O3/c21-17-7-4-14(5-8-17)13-27-18-3-1-2-15(10-18)11-23-24-19-9-6-16(12-22-19)20(25)26/h1-12H,13H2,(H,22,24)(H,25,26)/b23-11+
InChIKeyJLEJNCXNFLMLJP-FOKLQQMPSA-N
XLogP4.46
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 54.46
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-[(4-chlorophenyl)methoxy]-N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 3585979
[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 900224
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide
CID 4081735
N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methoxybenzamide
CID 6057561
methyl 4-[[3-[[(4-chlorobenzoyl)hydrazinylidene]methyl]phenoxy]methyl]benzoate
CID 3554770
4-[(2E)-2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 110337635
N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenoxyacetamide
CID 6182256
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2,2-diphenoxyacetamide
CID 4673369
N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-fluorobenzamide
CID 6046862
6-[(2E)-2-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]pyridine-3-carboxylic acid
CID 110505703
(NZ)-N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 91681560
6-[(2E)-2-[[2-(phenoxymethyl)phenyl]methylidene]hydrazinyl]pyridine-3-carboxylic acid
CID 110505721

Frequently Asked Questions

What is the IUPAC name of 6-[(2E)-2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(2E)-2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]pyridine-3-carboxylic acid (CID 110505715) is 6-[(2E)-2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(2E)-2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(2E)-2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]pyridine-3-carboxylic acid is O=C(O)c1ccc(N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)nc1.
What is the InChIKey of 6-[(2E)-2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]pyridine-3-carboxylic acid?
The InChIKey is JLEJNCXNFLMLJP-FOKLQQMPSA-N. The full InChI is InChI=1S/C20H16ClN3O3/c21-17-7-4-14(5-8-17)13-27-18-3-1-2-15(10-18)11-23-24-19-9-6-16(12-22-19)20(25)26/h1-12H,13H2,(H,22,24)(H,25,26)/b23-11+.
What are the key properties of 6-[(2E)-2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]pyridine-3-carboxylic acid?
6-[(2E)-2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]pyridine-3-carboxylic acid has a molecular weight of 381.82 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2E)-2-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 110505715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).