3-(4-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexane;N-methylidenehydroxylamine

C11H14FN3O — CID 142422469

IUPAC3-(4-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexane;N-methylidenehydroxylamine
SMILESC=NO.Fc1ccnc(N2CC3CC3C2)c1
InChIInChI=1S/C10H11FN2.CH3NO/c11-9-1-2-12-10(4-9)13-5-7-3-8(7)6-13;1-2-3/h1-2,4,7-8H,3,5-6H2;3H,1H2
InChIKeyCEAZZSVOQKJZGO-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.75
Rot. Bonds1

About 3-(4-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexane;N-methylidenehydroxylamine

3-(4-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexane;N-methylidenehydroxylamine (PubChem CID 142422469) has the molecular formula C11H14FN3O and a molecular weight of 223.25 g/mol. Its IUPAC name is 3-(4-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexane;N-methylidenehydroxylamine.

Molecular Properties

Compound Name3-(4-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexane;N-methylidenehydroxylamine
PubChem CID142422469
Molecular FormulaC11H14FN3O
Molecular Weight223.25 g/mol
Exact Mass223.11
IUPAC Name3-(4-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexane;N-methylidenehydroxylamine
SMILESC=NO.Fc1ccnc(N2CC3CC3C2)c1
InChIInChI=1S/C10H11FN2.CH3NO/c11-9-1-2-12-10(4-9)13-5-7-3-8(7)6-13;1-2-3/h1-2,4,7-8H,3,5-6H2;3H,1H2
InChIKeyCEAZZSVOQKJZGO-UHFFFAOYSA-N
XLogP1.75
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1S,5R)-3-(4-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexane
CID 142422250
2-(3-azabicyclo[3.1.0]hexan-3-yl)pyridin-4-amine
CID 130140544
2-(3-azabicyclo[3.1.0]hexan-3-yl)pyridine-4-carboxylic acid
CID 83832434
2-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]pyridine-4-carboxylic acid
CID 56874712
4-fluoro-2-(4-methoxypiperidin-1-yl)pyridine
CID 70661184
2-[1-(4-methyl-2-pyridinyl)azetidin-3-yl]propan-2-ol
CID 164586756
tert-butyl N-[1-(4-fluoro-2-pyridinyl)-3-methylazetidin-3-yl]carbamate
CID 170708877
1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-pyridinyl]-N-methylmethanamine
CID 113336197
2-[1-(4-iodo-2-pyridinyl)azetidin-3-yl]propan-2-ol
CID 164587109
3-pyridin-2-yl-3-azabicyclo[4.1.0]heptane
CID 169176717
4-fluoro-2-(triazol-1-yl)pyridine
CID 142795340
(1S,5R)-3-(5-fluoro-3-pyridinyl)-3-azabicyclo[3.1.0]hexane
CID 142422963

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexane;N-methylidenehydroxylamine?
The IUPAC name of 3-(4-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexane;N-methylidenehydroxylamine (CID 142422469) is 3-(4-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexane;N-methylidenehydroxylamine.
What is the SMILES notation for 3-(4-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexane;N-methylidenehydroxylamine?
The canonical SMILES for 3-(4-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexane;N-methylidenehydroxylamine is C=NO.Fc1ccnc(N2CC3CC3C2)c1.
What is the InChIKey of 3-(4-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexane;N-methylidenehydroxylamine?
The InChIKey is CEAZZSVOQKJZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2.CH3NO/c11-9-1-2-12-10(4-9)13-5-7-3-8(7)6-13;1-2-3/h1-2,4,7-8H,3,5-6H2;3H,1H2.
What are the key properties of 3-(4-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexane;N-methylidenehydroxylamine?
3-(4-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexane;N-methylidenehydroxylamine has a molecular weight of 223.25 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-pyridinyl)-3-azabicyclo[3.1.0]hexane;N-methylidenehydroxylamine is sourced from PubChem (CID 142422469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).