5-bromo-N-[(Z)-(4-fluorophenyl)methylideneamino]pyridine-3-carboxamide

C13H9BrFN3O — CID 6311396

IUPAC5-bromo-N-[(Z)-(4-fluorophenyl)methylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C\c1ccc(F)cc1)c1cncc(Br)c1
InChIInChI=1S/C13H9BrFN3O/c14-11-5-10(7-16-8-11)13(19)18-17-6-9-1-3-12(15)4-2-9/h1-8H,(H,18,19)/b17-6-
InChIKeyVPAFXTKZEMBGFY-FMQZQXMHSA-N
MW322.14 g/mol
LogP2.75
Rot. Bonds3

About 5-bromo-N-[(Z)-(4-fluorophenyl)methylideneamino]pyridine-3-carboxamide

5-bromo-N-[(Z)-(4-fluorophenyl)methylideneamino]pyridine-3-carboxamide (PubChem CID 6311396) has the molecular formula C13H9BrFN3O and a molecular weight of 322.14 g/mol. Its IUPAC name is 5-bromo-N-[(Z)-(4-fluorophenyl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(Z)-(4-fluorophenyl)methylideneamino]pyridine-3-carboxamide
PubChem CID6311396
Molecular FormulaC13H9BrFN3O
Molecular Weight322.14 g/mol
Exact Mass320.99
IUPAC Name5-bromo-N-[(Z)-(4-fluorophenyl)methylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C\c1ccc(F)cc1)c1cncc(Br)c1
InChIInChI=1S/C13H9BrFN3O/c14-11-5-10(7-16-8-11)13(19)18-17-6-9-1-3-12(15)4-2-9/h1-8H,(H,18,19)/b17-6-
InChIKeyVPAFXTKZEMBGFY-FMQZQXMHSA-N
XLogP2.75
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.14
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

5-bromo-N-[(4-chlorophenyl)methylideneamino]pyridine-3-carboxamide
CID 789585
5-bromo-N-[[4-(diethylamino)phenyl]methylideneamino]pyridine-3-carboxamide
CID 1381844
5-bromo-N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]pyridine-3-carboxamide
CID 135643230
5-bromo-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]pyridine-3-carboxamide
CID 136794132
5-bromo-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 5437060
5-bromo-N-[(3,4-dimethoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 1048926
5-bromo-N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]pyridine-3-carboxamide
CID 6899822
4-fluoro-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide
CID 5333155
4-fluoro-N-[(Z)-(4-fluorophenyl)methylideneamino]benzamide
CID 5394348
5-bromo-N-(furan-2-ylmethylideneamino)pyridine-3-carboxamide
CID 3599810
5-bromo-N-[(4-methoxy-3-nitrophenyl)methylideneamino]pyridine-3-carboxamide
CID 3359702
3-bromo-N-[(4-fluorophenyl)methylideneamino]-4-methylbenzamide
CID 922091

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(Z)-(4-fluorophenyl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[(Z)-(4-fluorophenyl)methylideneamino]pyridine-3-carboxamide (CID 6311396) is 5-bromo-N-[(Z)-(4-fluorophenyl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(Z)-(4-fluorophenyl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(Z)-(4-fluorophenyl)methylideneamino]pyridine-3-carboxamide is O=C(N/N=C\c1ccc(F)cc1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[(Z)-(4-fluorophenyl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is VPAFXTKZEMBGFY-FMQZQXMHSA-N. The full InChI is InChI=1S/C13H9BrFN3O/c14-11-5-10(7-16-8-11)13(19)18-17-6-9-1-3-12(15)4-2-9/h1-8H,(H,18,19)/b17-6-.
What are the key properties of 5-bromo-N-[(Z)-(4-fluorophenyl)methylideneamino]pyridine-3-carboxamide?
5-bromo-N-[(Z)-(4-fluorophenyl)methylideneamino]pyridine-3-carboxamide has a molecular weight of 322.14 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(Z)-(4-fluorophenyl)methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 6311396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).