[4-[(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] 3-fluorobenzoate

C20H14FN3O3 — CID 1369263

IUPAC[4-[(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] 3-fluorobenzoate
SMILESO=C(Oc1ccc(C=NNC(=O)c2ccccn2)cc1)c1cccc(F)c1
InChIInChI=1S/C20H14FN3O3/c21-16-5-3-4-15(12-16)20(26)27-17-9-7-14(8-10-17)13-23-24-19(25)18-6-1-2-11-22-18/h1-13H,(H,24,25)
InChIKeySANYQGILAFMDKB-UHFFFAOYSA-N
MW363.35 g/mol
LogP3.20
Rot. Bonds5

About [4-[(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] 3-fluorobenzoate

[4-[(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] 3-fluorobenzoate (PubChem CID 1369263) has the molecular formula C20H14FN3O3 and a molecular weight of 363.35 g/mol. Its IUPAC name is [4-[(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] 3-fluorobenzoate.

Molecular Properties

Compound Name[4-[(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] 3-fluorobenzoate
PubChem CID1369263
Molecular FormulaC20H14FN3O3
Molecular Weight363.35 g/mol
Exact Mass363.10
IUPAC Name[4-[(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] 3-fluorobenzoate
SMILESO=C(Oc1ccc(C=NNC(=O)c2ccccn2)cc1)c1cccc(F)c1
InChIInChI=1S/C20H14FN3O3/c21-16-5-3-4-15(12-16)20(26)27-17-9-7-14(8-10-17)13-23-24-19(25)18-6-1-2-11-22-18/h1-13H,(H,24,25)
InChIKeySANYQGILAFMDKB-UHFFFAOYSA-N
XLogP3.20
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 53.20
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

3-fluoro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methylideneamino]benzamide
CID 5103936
[4-[(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate
CID 1356844
[4-[[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate
CID 1154108
[4-[[[2-[(4-chlorobenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate
CID 3424101
[4-[[[2-(2-methylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate
CID 1246997
[4-[(Z)-[[2-(2,4,6-tribromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate
CID 6247206
N-[(E)-(3-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 6887460
[4-[(benzoylhydrazinylidene)methyl]phenyl] 3-methylbenzoate
CID 4244003
N-[(3-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 761649
[4-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] 3-chlorobenzoate
CID 4522806
N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]pyridine-2-carboxamide
CID 6879061
[4-[[[2-(2-methoxyanilino)acetyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate
CID 1118922

Frequently Asked Questions

What is the IUPAC name of [4-[(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] 3-fluorobenzoate?
The IUPAC name of [4-[(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] 3-fluorobenzoate (CID 1369263) is [4-[(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] 3-fluorobenzoate.
What is the SMILES notation for [4-[(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] 3-fluorobenzoate?
The canonical SMILES for [4-[(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] 3-fluorobenzoate is O=C(Oc1ccc(C=NNC(=O)c2ccccn2)cc1)c1cccc(F)c1.
What is the InChIKey of [4-[(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] 3-fluorobenzoate?
The InChIKey is SANYQGILAFMDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O3/c21-16-5-3-4-15(12-16)20(26)27-17-9-7-14(8-10-17)13-23-24-19(25)18-6-1-2-11-22-18/h1-13H,(H,24,25).
What are the key properties of [4-[(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] 3-fluorobenzoate?
[4-[(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] 3-fluorobenzoate has a molecular weight of 363.35 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] 3-fluorobenzoate is sourced from PubChem (CID 1369263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).