6,6-difluoro-3-pyridin-2-yl-3-azabicyclo[3.1.0]hexane

C10H10F2N2 — CID 175933768

IUPAC6,6-difluoro-3-pyridin-2-yl-3-azabicyclo[3.1.0]hexane
SMILESFC1(F)C2CN(c3ccccn3)CC21
InChIInChI=1S/C10H10F2N2/c11-10(12)7-5-14(6-8(7)10)9-3-1-2-4-13-9/h1-4,7-8H,5-6H2
InChIKeyBPOBMXCUANPDGE-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.78
Rot. Bonds1

About 6,6-difluoro-3-pyridin-2-yl-3-azabicyclo[3.1.0]hexane

6,6-difluoro-3-pyridin-2-yl-3-azabicyclo[3.1.0]hexane (PubChem CID 175933768) has the molecular formula C10H10F2N2 and a molecular weight of 196.20 g/mol. Its IUPAC name is 6,6-difluoro-3-pyridin-2-yl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name6,6-difluoro-3-pyridin-2-yl-3-azabicyclo[3.1.0]hexane
PubChem CID175933768
Molecular FormulaC10H10F2N2
Molecular Weight196.20 g/mol
Exact Mass196.08
IUPAC Name6,6-difluoro-3-pyridin-2-yl-3-azabicyclo[3.1.0]hexane
SMILESFC1(F)C2CN(c3ccccn3)CC21
InChIInChI=1S/C10H10F2N2/c11-10(12)7-5-14(6-8(7)10)9-3-1-2-4-13-9/h1-4,7-8H,5-6H2
InChIKeyBPOBMXCUANPDGE-UHFFFAOYSA-N
XLogP1.78
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methanol
CID 156826031
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045
(1S,6R)-7,7-difluoro-6-methyl-3-pyridin-2-yl-3-azabicyclo[4.1.0]heptane
CID 129487690
2-cyclopropyl-5-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 121185571
(3aR,4R,7aS)-4-ethyl-2-pyridin-2-yl-3,3a,5,6,7,7a-hexahydro-1H-isoindol-4-ol
CID 135115996
2-[3-(triazol-1-yl)azetidin-1-yl]pyridine
CID 121183762
CID 140811107
CID 140811107
(2R,6S)-1-(2,2-dimethylpropyl)-2,6-dimethyl-4-pyridin-2-ylpiperazine
CID 163528665
(3S)-1-pyridin-2-ylpyrrolidin-3-amine;hydrochloride
CID 71643959
3-pyridin-2-yl-3-azabicyclo[4.1.0]heptane
CID 169176717
N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 79002061
(3R)-N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 141191344

Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-3-pyridin-2-yl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 6,6-difluoro-3-pyridin-2-yl-3-azabicyclo[3.1.0]hexane (CID 175933768) is 6,6-difluoro-3-pyridin-2-yl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 6,6-difluoro-3-pyridin-2-yl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 6,6-difluoro-3-pyridin-2-yl-3-azabicyclo[3.1.0]hexane is FC1(F)C2CN(c3ccccn3)CC21.
What is the InChIKey of 6,6-difluoro-3-pyridin-2-yl-3-azabicyclo[3.1.0]hexane?
The InChIKey is BPOBMXCUANPDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2/c11-10(12)7-5-14(6-8(7)10)9-3-1-2-4-13-9/h1-4,7-8H,5-6H2.
What are the key properties of 6,6-difluoro-3-pyridin-2-yl-3-azabicyclo[3.1.0]hexane?
6,6-difluoro-3-pyridin-2-yl-3-azabicyclo[3.1.0]hexane has a molecular weight of 196.20 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-3-pyridin-2-yl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 175933768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).