[(Z)-[phenyl(pyridin-2-yl)methylidene]amino] 4-fluorobenzoate

C19H13FN2O2 — CID 6896284

IUPAC[(Z)-[phenyl(pyridin-2-yl)methylidene]amino] 4-fluorobenzoate
SMILESO=C(O/N=C(/c1ccccc1)c1ccccn1)c1ccc(F)cc1
InChIInChI=1S/C19H13FN2O2/c20-16-11-9-15(10-12-16)19(23)24-22-18(14-6-2-1-3-7-14)17-8-4-5-13-21-17/h1-13H/b22-18-
InChIKeyYHPGTVOAFWGBAD-PYCFMQQDSA-N
MW320.32 g/mol
LogP3.83
Rot. Bonds4

About [(Z)-[phenyl(pyridin-2-yl)methylidene]amino] 4-fluorobenzoate

[(Z)-[phenyl(pyridin-2-yl)methylidene]amino] 4-fluorobenzoate (PubChem CID 6896284) has the molecular formula C19H13FN2O2 and a molecular weight of 320.32 g/mol. Its IUPAC name is [(Z)-[phenyl(pyridin-2-yl)methylidene]amino] 4-fluorobenzoate.

Molecular Properties

Compound Name[(Z)-[phenyl(pyridin-2-yl)methylidene]amino] 4-fluorobenzoate
PubChem CID6896284
Molecular FormulaC19H13FN2O2
Molecular Weight320.32 g/mol
Exact Mass320.10
IUPAC Name[(Z)-[phenyl(pyridin-2-yl)methylidene]amino] 4-fluorobenzoate
SMILESO=C(O/N=C(/c1ccccc1)c1ccccn1)c1ccc(F)cc1
InChIInChI=1S/C19H13FN2O2/c20-16-11-9-15(10-12-16)19(23)24-22-18(14-6-2-1-3-7-14)17-8-4-5-13-21-17/h1-13H/b22-18-
InChIKeyYHPGTVOAFWGBAD-PYCFMQQDSA-N
XLogP3.83
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-O-(benzhydrylideneamino) 4-O-[(E)-[phenyl(pyridin-2-yl)methylidene]amino] butanedioate
CID 59685826
(4-fluorobenzoyl) pyridine-2-carboxylate
CID 154414835
[(E)-[phenyl(pyridin-2-yl)methylidene]amino] butanoate
CID 10084390
(benzhydrylideneamino) pyrazine-2-carboxylate
CID 13331734
methyl N-[[phenyl(pyridin-2-yl)methylidene]amino]carbamate
CID 5103078
(NZ)-N-[phenyl(pyridin-2-yl)methylidene]hydroxylamine
CID 135427108
(Z)-1-phenyl-N-phenylmethoxy-1-pyridin-2-ylmethanimine
CID 87293171
[(E)-[phenyl(pyridin-2-yl)methylidene]amino] N-(3-chlorophenyl)carbamate
CID 5340619
[(Z)-[phenyl(pyridin-2-yl)methylidene]amino] N-octylcarbamate
CID 19918393
[[amino(pyridin-3-yl)methylidene]amino] 4-fluorobenzoate
CID 2877109
[(E)-[amino(pyridin-2-yl)methylidene]amino] 4-propoxybenzoate
CID 8778912
4-methyl-N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
CID 4586185

Frequently Asked Questions

What is the IUPAC name of [(Z)-[phenyl(pyridin-2-yl)methylidene]amino] 4-fluorobenzoate?
The IUPAC name of [(Z)-[phenyl(pyridin-2-yl)methylidene]amino] 4-fluorobenzoate (CID 6896284) is [(Z)-[phenyl(pyridin-2-yl)methylidene]amino] 4-fluorobenzoate.
What is the SMILES notation for [(Z)-[phenyl(pyridin-2-yl)methylidene]amino] 4-fluorobenzoate?
The canonical SMILES for [(Z)-[phenyl(pyridin-2-yl)methylidene]amino] 4-fluorobenzoate is O=C(O/N=C(/c1ccccc1)c1ccccn1)c1ccc(F)cc1.
What is the InChIKey of [(Z)-[phenyl(pyridin-2-yl)methylidene]amino] 4-fluorobenzoate?
The InChIKey is YHPGTVOAFWGBAD-PYCFMQQDSA-N. The full InChI is InChI=1S/C19H13FN2O2/c20-16-11-9-15(10-12-16)19(23)24-22-18(14-6-2-1-3-7-14)17-8-4-5-13-21-17/h1-13H/b22-18-.
What are the key properties of [(Z)-[phenyl(pyridin-2-yl)methylidene]amino] 4-fluorobenzoate?
[(Z)-[phenyl(pyridin-2-yl)methylidene]amino] 4-fluorobenzoate has a molecular weight of 320.32 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[phenyl(pyridin-2-yl)methylidene]amino] 4-fluorobenzoate is sourced from PubChem (CID 6896284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).