N-(6-bicyclo[3.2.0]hept-3-enyl)-6-fluoropyridin-2-amine

C12H13FN2 — CID 116812930

IUPACN-(6-bicyclo[3.2.0]hept-3-enyl)-6-fluoropyridin-2-amine
SMILESFc1cccc(NC2CC3CC=CC32)n1
InChIInChI=1S/C12H13FN2/c13-11-5-2-6-12(15-11)14-10-7-8-3-1-4-9(8)10/h1-2,4-6,8-10H,3,7H2,(H,14,15)
InChIKeyDMWFGAMGUPMCFA-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.60
Rot. Bonds2

About N-(6-bicyclo[3.2.0]hept-3-enyl)-6-fluoropyridin-2-amine

N-(6-bicyclo[3.2.0]hept-3-enyl)-6-fluoropyridin-2-amine (PubChem CID 116812930) has the molecular formula C12H13FN2 and a molecular weight of 204.25 g/mol. Its IUPAC name is N-(6-bicyclo[3.2.0]hept-3-enyl)-6-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-(6-bicyclo[3.2.0]hept-3-enyl)-6-fluoropyridin-2-amine
PubChem CID116812930
Molecular FormulaC12H13FN2
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC NameN-(6-bicyclo[3.2.0]hept-3-enyl)-6-fluoropyridin-2-amine
SMILESFc1cccc(NC2CC3CC=CC32)n1
InChIInChI=1S/C12H13FN2/c13-11-5-2-6-12(15-11)14-10-7-8-3-1-4-9(8)10/h1-2,4-6,8-10H,3,7H2,(H,14,15)
InChIKeyDMWFGAMGUPMCFA-UHFFFAOYSA-N
XLogP2.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(6-bicyclo[3.2.0]hept-3-enyl)-6-fluoropyridin-2-amine 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-(6-bicyclo[3.2.0]hept-3-enyl)-6-fluoropyridin-2-amine?
The IUPAC name of N-(6-bicyclo[3.2.0]hept-3-enyl)-6-fluoropyridin-2-amine (CID 116812930) is N-(6-bicyclo[3.2.0]hept-3-enyl)-6-fluoropyridin-2-amine.
What is the SMILES notation for N-(6-bicyclo[3.2.0]hept-3-enyl)-6-fluoropyridin-2-amine?
The canonical SMILES for N-(6-bicyclo[3.2.0]hept-3-enyl)-6-fluoropyridin-2-amine is Fc1cccc(NC2CC3CC=CC32)n1.
What is the InChIKey of N-(6-bicyclo[3.2.0]hept-3-enyl)-6-fluoropyridin-2-amine?
The InChIKey is DMWFGAMGUPMCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2/c13-11-5-2-6-12(15-11)14-10-7-8-3-1-4-9(8)10/h1-2,4-6,8-10H,3,7H2,(H,14,15).
What are the key properties of N-(6-bicyclo[3.2.0]hept-3-enyl)-6-fluoropyridin-2-amine?
N-(6-bicyclo[3.2.0]hept-3-enyl)-6-fluoropyridin-2-amine has a molecular weight of 204.25 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bicyclo[3.2.0]hept-3-enyl)-6-fluoropyridin-2-amine is sourced from PubChem (CID 116812930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).