(1R,4R)-2-(6-fluoro-3-pyridinyl)-2,5-diazabicyclo[2.2.1]-heptane

C10H12FN3 — CID 9794155

IUPAC2-(6-fluoro-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane
SMILESC1C2CNC1CN2C3=CN=C(C=C3)F
InChIInChI=1S/C10H12FN3/c11-10-2-1-8(4-13-10)14-6-7-3-9(14)5-12-7/h1-2,4,7,9,12H,3,5-6H2
InChIKeyONPXTLLWQNBLPG-UHFFFAOYSA-N
MW193.22 g/mol
LogP1.00
Rot. Bonds1

About (1R,4R)-2-(6-fluoro-3-pyridinyl)-2,5-diazabicyclo[2.2.1]-heptane

(1R,4R)-2-(6-fluoro-3-pyridinyl)-2,5-diazabicyclo[2.2.1]-heptane (PubChem CID 9794155) has the molecular formula C10H12FN3 and a molecular weight of 193.22 g/mol. Its IUPAC name is 2-(6-fluoro-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,4R)-2-(6-fluoro-3-pyridinyl)-2,5-diazabicyclo[2.2.1]-heptane
PubChem CID9794155
Molecular FormulaC10H12FN3
Molecular Weight193.22 g/mol
Exact Mass193.10
IUPAC Name2-(6-fluoro-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane
SMILESC1C2CNC1CN2C3=CN=C(C=C3)F
InChIInChI=1S/C10H12FN3/c11-10-2-1-8(4-13-10)14-6-7-3-9(14)5-12-7/h1-2,4,7,9,12H,3,5-6H2
InChIKeyONPXTLLWQNBLPG-UHFFFAOYSA-N
XLogP1.00
TPSA28.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity223

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Tc-2216
CID 10176607
1-Pyridin-3-yl-1,4-diazepane
CID 10654891
1-(4-Pyridyl)piperazine
CID 70517
Piperazine, 2-pyridylethyl-
CID 566605
1-(Pyridin-3-yl)piperazine
CID 437234
1-Methyl-4-(pyridin-3-yl)piperazine
CID 10058072
1-Pyridin-2-ylmethyl-piperazine hydrochloride
CID 24761072
2-(5,6-Dichloro-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane
CID 9816268
(1S,5R)-6-pyridin-3-yl-3,6-diaza-bicyclo[3.2.0]heptane
CID 9834096
2-(Pyridin-3-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 9837971
(1R,6S)-8-pyridin-3-yl-3,8-diaza-bicyclo[4.2.0]octane
CID 9855694
2-(6-Chloropyridin-3-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 9925774

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-2-(6-fluoro-3-pyridinyl)-2,5-diazabicyclo[2.2.1]-heptane?
The IUPAC name of (1R,4R)-2-(6-fluoro-3-pyridinyl)-2,5-diazabicyclo[2.2.1]-heptane (CID 9794155) is 2-(6-fluoro-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,4R)-2-(6-fluoro-3-pyridinyl)-2,5-diazabicyclo[2.2.1]-heptane?
The canonical SMILES for (1R,4R)-2-(6-fluoro-3-pyridinyl)-2,5-diazabicyclo[2.2.1]-heptane is C1C2CNC1CN2C3=CN=C(C=C3)F.
What is the InChIKey of (1R,4R)-2-(6-fluoro-3-pyridinyl)-2,5-diazabicyclo[2.2.1]-heptane?
The InChIKey is ONPXTLLWQNBLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3/c11-10-2-1-8(4-13-10)14-6-7-3-9(14)5-12-7/h1-2,4,7,9,12H,3,5-6H2.
What are the key properties of (1R,4R)-2-(6-fluoro-3-pyridinyl)-2,5-diazabicyclo[2.2.1]-heptane?
(1R,4R)-2-(6-fluoro-3-pyridinyl)-2,5-diazabicyclo[2.2.1]-heptane has a molecular weight of 193.22 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-2-(6-fluoro-3-pyridinyl)-2,5-diazabicyclo[2.2.1]-heptane is sourced from PubChem (CID 9794155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).