(1R,5S)-3-(4-fluoro-2-pyridinyl)-6-isocyano-3-azabicyclo[3.1.0]hexane

C11H10FN3 — CID 153307154

IUPAC(1R,5S)-3-(4-fluoro-2-pyridinyl)-6-isocyano-3-azabicyclo[3.1.0]hexane
SMILES[C-]#[N+]C1[C@H]2CN(c3cc(F)ccn3)C[C@@H]12
InChIInChI=1S/C11H10FN3/c1-13-11-8-5-15(6-9(8)11)10-4-7(12)2-3-14-10/h2-4,8-9,11H,5-6H2/t8-,9+,11?
InChIKeyBCZCCRDJJKYYSH-SLHIUPAKSA-N
MW203.22 g/mol
LogP1.57
Rot. Bonds1

About (1R,5S)-3-(4-fluoro-2-pyridinyl)-6-isocyano-3-azabicyclo[3.1.0]hexane

(1R,5S)-3-(4-fluoro-2-pyridinyl)-6-isocyano-3-azabicyclo[3.1.0]hexane (PubChem CID 153307154) has the molecular formula C11H10FN3 and a molecular weight of 203.22 g/mol. Its IUPAC name is (1R,5S)-3-(4-fluoro-2-pyridinyl)-6-isocyano-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1R,5S)-3-(4-fluoro-2-pyridinyl)-6-isocyano-3-azabicyclo[3.1.0]hexane
PubChem CID153307154
Molecular FormulaC11H10FN3
Molecular Weight203.22 g/mol
Exact Mass203.09
IUPAC Name(1R,5S)-3-(4-fluoro-2-pyridinyl)-6-isocyano-3-azabicyclo[3.1.0]hexane
SMILES[C-]#[N+]C1[C@H]2CN(c3cc(F)ccn3)C[C@@H]12
InChIInChI=1S/C11H10FN3/c1-13-11-8-5-15(6-9(8)11)10-4-7(12)2-3-14-10/h2-4,8-9,11H,5-6H2/t8-,9+,11?
InChIKeyBCZCCRDJJKYYSH-SLHIUPAKSA-N
XLogP1.57
TPSA20.49 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze (1R,5S)-3-(4-fluoro-2-pyridinyl)-6-isocyano-3-azabicyclo[3.1.0]hexane with MolForge

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Related Compounds

1-(3-Fluoro-2-pyridinyl)piperazine
CID 134987
1-(3-Fluoropyridin-2-yl)-4-methylpiperazine
CID 13298530
11-Cyclopropyldipyrido[2,3-b:3',2'-f]azepine
CID 470618
1-Methyl-4-(pyridin-2-yl)piperazine
CID 14954817
2-Pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptane
CID 22065964
5-[(cyclopropylamino)methyl]-N-(4-fluoro-2-pyridinyl)pyridin-2-amine
CID 156287311
[2-(Pyrrolidin-1-yl)pyridin-3-yl]methanamine
CID 16794395
2-Piperidinopyridine
CID 817759
2-(Piperidin-1-yl)isonicotinonitrile
CID 477653
(5R)-2-pyridin-2-yl-2,9-diazaspiro[4.5]decane
CID 3233405
8-(Pyridin-2-yl)-5,8-diazaspiro[4.5]decan-5-ium bromide
CID 658423
2-(1H-pyrrol-1-yl)pyridine
CID 736557

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-(4-fluoro-2-pyridinyl)-6-isocyano-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (1R,5S)-3-(4-fluoro-2-pyridinyl)-6-isocyano-3-azabicyclo[3.1.0]hexane (CID 153307154) is (1R,5S)-3-(4-fluoro-2-pyridinyl)-6-isocyano-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1R,5S)-3-(4-fluoro-2-pyridinyl)-6-isocyano-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1R,5S)-3-(4-fluoro-2-pyridinyl)-6-isocyano-3-azabicyclo[3.1.0]hexane is [C-]#[N+]C1[C@H]2CN(c3cc(F)ccn3)C[C@@H]12.
What is the InChIKey of (1R,5S)-3-(4-fluoro-2-pyridinyl)-6-isocyano-3-azabicyclo[3.1.0]hexane?
The InChIKey is BCZCCRDJJKYYSH-SLHIUPAKSA-N. The full InChI is InChI=1S/C11H10FN3/c1-13-11-8-5-15(6-9(8)11)10-4-7(12)2-3-14-10/h2-4,8-9,11H,5-6H2/t8-,9+,11?.
What are the key properties of (1R,5S)-3-(4-fluoro-2-pyridinyl)-6-isocyano-3-azabicyclo[3.1.0]hexane?
(1R,5S)-3-(4-fluoro-2-pyridinyl)-6-isocyano-3-azabicyclo[3.1.0]hexane has a molecular weight of 203.22 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-(4-fluoro-2-pyridinyl)-6-isocyano-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 153307154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).