N-[(Z)-(4-bromo-3-pyridinyl)methylideneamino]-4-fluoroaniline

C12H9BrFN3 — CID 66726959

IUPACN-[(Z)-(4-bromo-3-pyridinyl)methylideneamino]-4-fluoroaniline
SMILESFc1ccc(N/N=C\c2cnccc2Br)cc1
InChIInChI=1S/C12H9BrFN3/c13-12-5-6-15-7-9(12)8-16-17-11-3-1-10(14)2-4-11/h1-8,17H/b16-8-
InChIKeyMCWXTVRDTCLBMV-PXNMLYILSA-N
MW294.13 g/mol
LogP3.43
Rot. Bonds3

About N-[(Z)-(4-bromo-3-pyridinyl)methylideneamino]-4-fluoroaniline

N-[(Z)-(4-bromo-3-pyridinyl)methylideneamino]-4-fluoroaniline (PubChem CID 66726959) has the molecular formula C12H9BrFN3 and a molecular weight of 294.13 g/mol. Its IUPAC name is N-[(Z)-(4-bromo-3-pyridinyl)methylideneamino]-4-fluoroaniline.

Molecular Properties

Compound NameN-[(Z)-(4-bromo-3-pyridinyl)methylideneamino]-4-fluoroaniline
PubChem CID66726959
Molecular FormulaC12H9BrFN3
Molecular Weight294.13 g/mol
Exact Mass293.00
IUPAC NameN-[(Z)-(4-bromo-3-pyridinyl)methylideneamino]-4-fluoroaniline
SMILESFc1ccc(N/N=C\c2cnccc2Br)cc1
InChIInChI=1S/C12H9BrFN3/c13-12-5-6-15-7-9(12)8-16-17-11-3-1-10(14)2-4-11/h1-8,17H/b16-8-
InChIKeyMCWXTVRDTCLBMV-PXNMLYILSA-N
XLogP3.43
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.13
LogP ≤ 53.43
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'}

Analyze N-[(Z)-(4-bromo-3-pyridinyl)methylideneamino]-4-fluoroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-bromo-3-pyridinyl)methylideneamino]-4-fluoroaniline?
The IUPAC name of N-[(Z)-(4-bromo-3-pyridinyl)methylideneamino]-4-fluoroaniline (CID 66726959) is N-[(Z)-(4-bromo-3-pyridinyl)methylideneamino]-4-fluoroaniline.
What is the SMILES notation for N-[(Z)-(4-bromo-3-pyridinyl)methylideneamino]-4-fluoroaniline?
The canonical SMILES for N-[(Z)-(4-bromo-3-pyridinyl)methylideneamino]-4-fluoroaniline is Fc1ccc(N/N=C\c2cnccc2Br)cc1.
What is the InChIKey of N-[(Z)-(4-bromo-3-pyridinyl)methylideneamino]-4-fluoroaniline?
The InChIKey is MCWXTVRDTCLBMV-PXNMLYILSA-N. The full InChI is InChI=1S/C12H9BrFN3/c13-12-5-6-15-7-9(12)8-16-17-11-3-1-10(14)2-4-11/h1-8,17H/b16-8-.
What are the key properties of N-[(Z)-(4-bromo-3-pyridinyl)methylideneamino]-4-fluoroaniline?
N-[(Z)-(4-bromo-3-pyridinyl)methylideneamino]-4-fluoroaniline has a molecular weight of 294.13 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-bromo-3-pyridinyl)methylideneamino]-4-fluoroaniline is sourced from PubChem (CID 66726959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).