2-chloro-6-[(3-fluorophenyl)methylamino]pyridine-4-carbonitrile

C13H9ClFN3 — CID 83073097

IUPAC2-chloro-6-[(3-fluorophenyl)methylamino]pyridine-4-carbonitrile
SMILESN#Cc1cc(Cl)nc(NCc2cccc(F)c2)c1
InChIInChI=1S/C13H9ClFN3/c14-12-5-10(7-16)6-13(18-12)17-8-9-2-1-3-11(15)4-9/h1-6H,8H2,(H,17,18)
InChIKeyZJGFXDNRFOTMNK-UHFFFAOYSA-N
MW261.69 g/mol
LogP3.36
Rot. Bonds3

About 2-chloro-6-[(3-fluorophenyl)methylamino]pyridine-4-carbonitrile

2-chloro-6-[(3-fluorophenyl)methylamino]pyridine-4-carbonitrile (PubChem CID 83073097) has the molecular formula C13H9ClFN3 and a molecular weight of 261.69 g/mol. Its IUPAC name is 2-chloro-6-[(3-fluorophenyl)methylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-[(3-fluorophenyl)methylamino]pyridine-4-carbonitrile
PubChem CID83073097
Molecular FormulaC13H9ClFN3
Molecular Weight261.69 g/mol
Exact Mass261.05
IUPAC Name2-chloro-6-[(3-fluorophenyl)methylamino]pyridine-4-carbonitrile
SMILESN#Cc1cc(Cl)nc(NCc2cccc(F)c2)c1
InChIInChI=1S/C13H9ClFN3/c14-12-5-10(7-16)6-13(18-12)17-8-9-2-1-3-11(15)4-9/h1-6H,8H2,(H,17,18)
InChIKeyZJGFXDNRFOTMNK-UHFFFAOYSA-N
XLogP3.36
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.69
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-6-[(3-fluorophenyl)methylamino]pyridine-4-carbonitrile 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 2-chloro-6-[(3-fluorophenyl)methylamino]pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-[(3-fluorophenyl)methylamino]pyridine-4-carbonitrile (CID 83073097) is 2-chloro-6-[(3-fluorophenyl)methylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-[(3-fluorophenyl)methylamino]pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-[(3-fluorophenyl)methylamino]pyridine-4-carbonitrile is N#Cc1cc(Cl)nc(NCc2cccc(F)c2)c1.
What is the InChIKey of 2-chloro-6-[(3-fluorophenyl)methylamino]pyridine-4-carbonitrile?
The InChIKey is ZJGFXDNRFOTMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3/c14-12-5-10(7-16)6-13(18-12)17-8-9-2-1-3-11(15)4-9/h1-6H,8H2,(H,17,18).
What are the key properties of 2-chloro-6-[(3-fluorophenyl)methylamino]pyridine-4-carbonitrile?
2-chloro-6-[(3-fluorophenyl)methylamino]pyridine-4-carbonitrile has a molecular weight of 261.69 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(3-fluorophenyl)methylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 83073097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).