(1R,4R)-2-[5-(6-fluoro-3-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane

C16H16FN3 — CID 122384669

IUPAC(1R,4R)-2-[5-(6-fluoro-3-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane
SMILESFc1ccc(-c2cncc(C3C[C@H]4CC[C@H]3N4)c2)cn1
InChIInChI=1S/C16H16FN3/c17-16-4-1-10(9-19-16)11-5-12(8-18-7-11)14-6-13-2-3-15(14)20-13/h1,4-5,7-9,13-15,20H,2-3,6H2/t13-,14?,15-/m1/s1
InChIKeyGUMDMUQIPWJZQD-GIJJTGMTSA-N
MW269.32 g/mol
LogP2.89
Rot. Bonds2

About (1R,4R)-2-[5-(6-fluoro-3-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane

(1R,4R)-2-[5-(6-fluoro-3-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane (PubChem CID 122384669) has the molecular formula C16H16FN3 and a molecular weight of 269.32 g/mol. Its IUPAC name is (1R,4R)-2-[5-(6-fluoro-3-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,4R)-2-[5-(6-fluoro-3-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane
PubChem CID122384669
Molecular FormulaC16H16FN3
Molecular Weight269.32 g/mol
Exact Mass269.13
IUPAC Name(1R,4R)-2-[5-(6-fluoro-3-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane
SMILESFc1ccc(-c2cncc(C3C[C@H]4CC[C@H]3N4)c2)cn1
InChIInChI=1S/C16H16FN3/c17-16-4-1-10(9-19-16)11-5-12(8-18-7-11)14-6-13-2-3-15(14)20-13/h1,4-5,7-9,13-15,20H,2-3,6H2/t13-,14?,15-/m1/s1
InChIKeyGUMDMUQIPWJZQD-GIJJTGMTSA-N
XLogP2.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,4R)-2-[5-(6-fluoro-3-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane with MolForge

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Related Compounds

Anabasine
CID 205586
Epibatidine
CID 854023
(+-)-Anabasine
CID 2181
(-)-Epibatidine-L-tartrate
CID 1204
4-(2-(4-fluorophenyl)-5-(1-methylpiperidine-4-yl)-1H-pyrrol-3-yl)pyridine
CID 500899
3-((2R)-Piperidin-2-Yl)Pyridine
CID 641266
N-Desmethylpheniramine
CID 161283
Deschloroepibatidine
CID 10154265
(1S,2S,4R)-2-(6-Chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 3073763
6,8-Difluoro-3a,4,5,9b-tetrahydro-4-(3-pyridinyl)-3H-cyclopenta(c)quinoline
CID 3154410
1-(1-Phenyl-2-(pyridin-2-yl)ethyl)piperazine
CID 44414862
1-(1-Phenyl-2-(pyridin-4-yl)ethyl)piperazine
CID 44414874

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-2-[5-(6-fluoro-3-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane?
The IUPAC name of (1R,4R)-2-[5-(6-fluoro-3-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane (CID 122384669) is (1R,4R)-2-[5-(6-fluoro-3-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,4R)-2-[5-(6-fluoro-3-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane?
The canonical SMILES for (1R,4R)-2-[5-(6-fluoro-3-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane is Fc1ccc(-c2cncc(C3C[C@H]4CC[C@H]3N4)c2)cn1.
What is the InChIKey of (1R,4R)-2-[5-(6-fluoro-3-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane?
The InChIKey is GUMDMUQIPWJZQD-GIJJTGMTSA-N. The full InChI is InChI=1S/C16H16FN3/c17-16-4-1-10(9-19-16)11-5-12(8-18-7-11)14-6-13-2-3-15(14)20-13/h1,4-5,7-9,13-15,20H,2-3,6H2/t13-,14?,15-/m1/s1.
What are the key properties of (1R,4R)-2-[5-(6-fluoro-3-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane?
(1R,4R)-2-[5-(6-fluoro-3-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane has a molecular weight of 269.32 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-2-[5-(6-fluoro-3-pyridinyl)-3-pyridinyl]-7-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 122384669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).