[4-[(phenylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate

C19H15N3O2 — CID 3277359

IUPAC[4-[(phenylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate
SMILESO=C(Oc1ccc(C=NNc2ccccc2)cc1)c1cccnc1
InChIInChI=1S/C19H15N3O2/c23-19(16-5-4-12-20-14-16)24-18-10-8-15(9-11-18)13-21-22-17-6-2-1-3-7-17/h1-14,22H
InChIKeyQIAKVFRGRRYOMQ-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.75
Rot. Bonds5

About [4-[(phenylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate

[4-[(phenylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate (PubChem CID 3277359) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is [4-[(phenylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate.

Molecular Properties

Compound Name[4-[(phenylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate
PubChem CID3277359
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name[4-[(phenylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate
SMILESO=C(Oc1ccc(C=NNc2ccccc2)cc1)c1cccnc1
InChIInChI=1S/C19H15N3O2/c23-19(16-5-4-12-20-14-16)24-18-10-8-15(9-11-18)13-21-22-17-6-2-1-3-7-17/h1-14,22H
InChIKeyQIAKVFRGRRYOMQ-UHFFFAOYSA-N
XLogP3.75
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.75
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)-(naphthalen-2-ylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate
CID 6266025
[4-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] benzoate
CID 5369591
3-[(2E)-2-[(4-benzoyloxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 110505202
[4-[(Z)-(phenylhydrazinylidene)methyl]phenyl] 3,5-dinitrobenzoate
CID 6241136
[4-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 3-chlorobenzoate
CID 4522806
N-[(Z)-pyridin-3-ylmethylideneamino]aniline
CID 5375484
[4-[[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl] pyridine-3-carboxylate
CID 2326727
4-[2-[[4-(3-bromobenzoyl)oxyphenyl]methylidene]hydrazinyl]benzoic acid
CID 4044463
[4-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 1,3-benzodioxole-5-carboxylate
CID 1206119
[4-(hydroxyiminomethyl)phenyl] benzoate
CID 880956
4-[(2E)-2-[[4-(4-fluorobenzoyl)oxyphenyl]methylidene]hydrazinyl]benzoic acid
CID 110341095
4-[(2E)-2-[(4-pyridin-3-yloxyphenyl)methylidene]hydrazinyl]phenol
CID 143199920

Frequently Asked Questions

What is the IUPAC name of [4-[(phenylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate?
The IUPAC name of [4-[(phenylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate (CID 3277359) is [4-[(phenylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate.
What is the SMILES notation for [4-[(phenylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate?
The canonical SMILES for [4-[(phenylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate is O=C(Oc1ccc(C=NNc2ccccc2)cc1)c1cccnc1.
What is the InChIKey of [4-[(phenylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate?
The InChIKey is QIAKVFRGRRYOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c23-19(16-5-4-12-20-14-16)24-18-10-8-15(9-11-18)13-21-22-17-6-2-1-3-7-17/h1-14,22H.
What are the key properties of [4-[(phenylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate?
[4-[(phenylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate has a molecular weight of 317.35 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(phenylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate is sourced from PubChem (CID 3277359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).