(1R,5S)-N-(3-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine

C10H12FN3 — CID 130719347

IUPAC(1R,5S)-N-(3-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine
SMILESFc1cccnc1NC1[C@H]2CNC[C@@H]12
InChIInChI=1S/C10H12FN3/c11-8-2-1-3-13-10(8)14-9-6-4-12-5-7(6)9/h1-3,6-7,9,12H,4-5H2,(H,13,14)/t6-,7+,9?
InChIKeyGXZHZMQBSBYLIK-AVSFMBPQSA-N
MW193.22 g/mol
LogP0.85
Rot. Bonds2

About (1R,5S)-N-(3-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine

(1R,5S)-N-(3-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine (PubChem CID 130719347) has the molecular formula C10H12FN3 and a molecular weight of 193.22 g/mol. Its IUPAC name is (1R,5S)-N-(3-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound Name(1R,5S)-N-(3-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine
PubChem CID130719347
Molecular FormulaC10H12FN3
Molecular Weight193.22 g/mol
Exact Mass193.10
IUPAC Name(1R,5S)-N-(3-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine
SMILESFc1cccnc1NC1[C@H]2CNC[C@@H]12
InChIInChI=1S/C10H12FN3/c11-8-2-1-3-13-10(8)14-9-6-4-12-5-7(6)9/h1-3,6-7,9,12H,4-5H2,(H,13,14)/t6-,7+,9?
InChIKeyGXZHZMQBSBYLIK-AVSFMBPQSA-N
XLogP0.85
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-N-(3-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine?
The IUPAC name of (1R,5S)-N-(3-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine (CID 130719347) is (1R,5S)-N-(3-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for (1R,5S)-N-(3-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for (1R,5S)-N-(3-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine is Fc1cccnc1NC1[C@H]2CNC[C@@H]12.
What is the InChIKey of (1R,5S)-N-(3-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine?
The InChIKey is GXZHZMQBSBYLIK-AVSFMBPQSA-N. The full InChI is InChI=1S/C10H12FN3/c11-8-2-1-3-13-10(8)14-9-6-4-12-5-7(6)9/h1-3,6-7,9,12H,4-5H2,(H,13,14)/t6-,7+,9?.
What are the key properties of (1R,5S)-N-(3-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine?
(1R,5S)-N-(3-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine has a molecular weight of 193.22 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-N-(3-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 130719347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).