[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

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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).