[2-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluoro-4-pyridinyl]methanamine

C12H16FN3 — CID 105389495

IUPAC[2-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluoro-4-pyridinyl]methanamine
SMILESNCc1ccnc(N2CC3CCC2C3)c1F
InChIInChI=1S/C12H16FN3/c13-11-9(6-14)3-4-15-12(11)16-7-8-1-2-10(16)5-8/h3-4,8,10H,1-2,5-7,14H2
InChIKeyNVSIRQRCKRPIKT-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.67
Rot. Bonds2

About [2-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluoro-4-pyridinyl]methanamine

[2-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluoro-4-pyridinyl]methanamine (PubChem CID 105389495) has the molecular formula C12H16FN3 and a molecular weight of 221.28 g/mol. Its IUPAC name is [2-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluoro-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluoro-4-pyridinyl]methanamine
PubChem CID105389495
Molecular FormulaC12H16FN3
Molecular Weight221.28 g/mol
Exact Mass221.13
IUPAC Name[2-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluoro-4-pyridinyl]methanamine
SMILESNCc1ccnc(N2CC3CCC2C3)c1F
InChIInChI=1S/C12H16FN3/c13-11-9(6-14)3-4-15-12(11)16-7-8-1-2-10(16)5-8/h3-4,8,10H,1-2,5-7,14H2
InChIKeyNVSIRQRCKRPIKT-UHFFFAOYSA-N
XLogP1.67
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluoro-4-pyridinyl]methanamine 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

2-(3-fluoro-2-pyridinyl)-2-azabicyclo[2.2.1]heptane
CID 127437089
[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 79869055
[4-(2-azabicyclo[2.2.1]heptan-2-yl)phenyl]methanamine
CID 55031754
[2-(1,1-dioxo-1,4-thiazinan-4-yl)-3-fluoro-4-pyridinyl]methanamine
CID 105389165
[3-fluoro-2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-4-pyridinyl]methanamine
CID 105389866
[3-fluoro-2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]methanamine
CID 105388828
2-(2-azabicyclo[2.2.1]heptan-2-yl)-3-chloro-N'-hydroxypyridine-4-carboximidamide
CID 137006828
2-(2-azabicyclo[2.2.1]heptan-2-yl)-N'-hydroxypyridine-3-carboximidamide
CID 54980530
[1-(2-azabicyclo[2.2.1]heptan-2-yl)isoquinolin-4-yl]methanol
CID 106768108
2-[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluorophenyl]ethanamine
CID 63787034
[2-(3,3-dimethylpiperidin-1-yl)-3-fluoro-4-pyridinyl]methanamine
CID 105389976
1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-4-pyridinyl]ethenamine
CID 142584542

Frequently Asked Questions

What is the IUPAC name of [2-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluoro-4-pyridinyl]methanamine?
The IUPAC name of [2-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluoro-4-pyridinyl]methanamine (CID 105389495) is [2-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluoro-4-pyridinyl]methanamine.
What is the SMILES notation for [2-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluoro-4-pyridinyl]methanamine?
The canonical SMILES for [2-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluoro-4-pyridinyl]methanamine is NCc1ccnc(N2CC3CCC2C3)c1F.
What is the InChIKey of [2-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluoro-4-pyridinyl]methanamine?
The InChIKey is NVSIRQRCKRPIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3/c13-11-9(6-14)3-4-15-12(11)16-7-8-1-2-10(16)5-8/h3-4,8,10H,1-2,5-7,14H2.
What are the key properties of [2-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluoro-4-pyridinyl]methanamine?
[2-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluoro-4-pyridinyl]methanamine has a molecular weight of 221.28 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-azabicyclo[2.2.1]heptan-2-yl)-3-fluoro-4-pyridinyl]methanamine is sourced from PubChem (CID 105389495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).