2-(6-fluoro-5-pyridin-4-yl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane

C16H16FN3 — CID 56839542

IUPAC2-(6-fluoro-5-pyridin-4-yl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
SMILESFc1ncc(C2CC3CCC2N3)cc1-c1ccncc1
InChIInChI=1S/C16H16FN3/c17-16-14(10-3-5-18-6-4-10)7-11(9-19-16)13-8-12-1-2-15(13)20-12/h3-7,9,12-13,15,20H,1-2,8H2
InChIKeyCEWXULHLBUPCIU-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.89
Rot. Bonds2

About 2-(6-fluoro-5-pyridin-4-yl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane

2-(6-fluoro-5-pyridin-4-yl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane (PubChem CID 56839542) has the molecular formula C16H16FN3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-(6-fluoro-5-pyridin-4-yl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(6-fluoro-5-pyridin-4-yl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
PubChem CID56839542
Molecular FormulaC16H16FN3
Molecular Weight269.32 g/mol
Exact Mass269.13
IUPAC Name2-(6-fluoro-5-pyridin-4-yl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
SMILESFc1ncc(C2CC3CCC2N3)cc1-c1ccncc1
InChIInChI=1S/C16H16FN3/c17-16-14(10-3-5-18-6-4-10)7-11(9-19-16)13-8-12-1-2-15(13)20-12/h3-7,9,12-13,15,20H,1-2,8H2
InChIKeyCEWXULHLBUPCIU-UHFFFAOYSA-N
XLogP2.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(6-fluoro-5-pyridin-4-yl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane with MolForge

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

Launch Full Analysis

Related Compounds

Anabasine
CID 205586
Epibatidine
CID 854023
(+-)-Anabasine
CID 2181
(-)-Epibatidine-L-tartrate
CID 1204
4-(2-(4-fluorophenyl)-5-(1-methylpiperidine-4-yl)-1H-pyrrol-3-yl)pyridine
CID 500899
3-((2R)-Piperidin-2-Yl)Pyridine
CID 641266
N-Desmethylpheniramine
CID 161283
Deschloroepibatidine
CID 10154265
6,8-Difluoro-3a,4,5,9b-tetrahydro-4-(3-pyridinyl)-3H-cyclopenta(c)quinoline
CID 3154410
1-(1-Phenyl-2-(pyridin-2-yl)ethyl)piperazine
CID 44414862
1-(1-Phenyl-2-(pyridin-4-yl)ethyl)piperazine
CID 44414874
(S)-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane
CID 44297526

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-5-pyridin-4-yl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane?
The IUPAC name of 2-(6-fluoro-5-pyridin-4-yl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane (CID 56839542) is 2-(6-fluoro-5-pyridin-4-yl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(6-fluoro-5-pyridin-4-yl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane?
The canonical SMILES for 2-(6-fluoro-5-pyridin-4-yl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane is Fc1ncc(C2CC3CCC2N3)cc1-c1ccncc1.
What is the InChIKey of 2-(6-fluoro-5-pyridin-4-yl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane?
The InChIKey is CEWXULHLBUPCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3/c17-16-14(10-3-5-18-6-4-10)7-11(9-19-16)13-8-12-1-2-15(13)20-12/h3-7,9,12-13,15,20H,1-2,8H2.
What are the key properties of 2-(6-fluoro-5-pyridin-4-yl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane?
2-(6-fluoro-5-pyridin-4-yl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane has a molecular weight of 269.32 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-5-pyridin-4-yl-3-pyridinyl)-7-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 56839542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).