[4-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 3-chlorobenzoate

C20H14ClN3O3 — CID 4522806

IUPAC[4-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 3-chlorobenzoate
SMILESO=C(NN=Cc1ccc(OC(=O)c2cccc(Cl)c2)cc1)c1cccnc1
InChIInChI=1S/C20H14ClN3O3/c21-17-5-1-3-15(11-17)20(26)27-18-8-6-14(7-9-18)12-23-24-19(25)16-4-2-10-22-13-16/h1-13H,(H,24,25)
InChIKeyJNDZZAFGIPAQOP-UHFFFAOYSA-N
MW379.80 g/mol
LogP3.72
Rot. Bonds5

About [4-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 3-chlorobenzoate

[4-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 3-chlorobenzoate (PubChem CID 4522806) has the molecular formula C20H14ClN3O3 and a molecular weight of 379.80 g/mol. Its IUPAC name is [4-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 3-chlorobenzoate.

Molecular Properties

Compound Name[4-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 3-chlorobenzoate
PubChem CID4522806
Molecular FormulaC20H14ClN3O3
Molecular Weight379.80 g/mol
Exact Mass379.07
IUPAC Name[4-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 3-chlorobenzoate
SMILESO=C(NN=Cc1ccc(OC(=O)c2cccc(Cl)c2)cc1)c1cccnc1
InChIInChI=1S/C20H14ClN3O3/c21-17-5-1-3-15(11-17)20(26)27-18-8-6-14(7-9-18)12-23-24-19(25)16-4-2-10-22-13-16/h1-13H,(H,24,25)
InChIKeyJNDZZAFGIPAQOP-UHFFFAOYSA-N
XLogP3.72
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.80
LogP ≤ 53.72
H-Bond Donors ≤ 51
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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] benzoate
CID 5369591
[4-[[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 3-chlorobenzoate
CID 3702836
[4-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 1,3-benzodioxole-5-carboxylate
CID 1206119
[4-[[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl] pyridine-3-carboxylate
CID 2326727
[4-[[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenyl] 3-chlorobenzoate
CID 3793766
[4-[(Z)-[[2-(3-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-chlorobenzoate
CID 6257193
[4-[(E)-[2-(3-chlorophenoxy)propanoylhydrazinylidene]methyl]phenyl] 3-chlorobenzoate
CID 44722050
N-[[3-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-3-carboxamide
CID 1379516
N-[(Z)-[4-(4-chlorophenyl)sulfanylphenyl]methylideneamino]pyridine-3-carboxamide
CID 126111355
[4-[[[2-[(4-fluorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 3-chlorobenzoate
CID 5085416
[4-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 3-(4-methoxyphenyl)prop-2-enoate
CID 3965580
3-chloro-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 5456482

Frequently Asked Questions

What is the IUPAC name of [4-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 3-chlorobenzoate?
The IUPAC name of [4-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 3-chlorobenzoate (CID 4522806) is [4-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 3-chlorobenzoate.
What is the SMILES notation for [4-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 3-chlorobenzoate?
The canonical SMILES for [4-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 3-chlorobenzoate is O=C(NN=Cc1ccc(OC(=O)c2cccc(Cl)c2)cc1)c1cccnc1.
What is the InChIKey of [4-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 3-chlorobenzoate?
The InChIKey is JNDZZAFGIPAQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O3/c21-17-5-1-3-15(11-17)20(26)27-18-8-6-14(7-9-18)12-23-24-19(25)16-4-2-10-22-13-16/h1-13H,(H,24,25).
What are the key properties of [4-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 3-chlorobenzoate?
[4-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 3-chlorobenzoate has a molecular weight of 379.80 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 3-chlorobenzoate is sourced from PubChem (CID 4522806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).