2-chloro-N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]acetamide

C12H12ClF2N3O — CID 118961268

IUPAC2-chloro-N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]acetamide
SMILESO=C(CCl)Nc1cccc(N2CC3C(C2)C3(F)F)n1
InChIInChI=1S/C12H12ClF2N3O/c13-4-11(19)17-9-2-1-3-10(16-9)18-5-7-8(6-18)12(7,14)15/h1-3,7-8H,4-6H2,(H,16,17,19)
InChIKeyMCDZDTBMPIEPOX-UHFFFAOYSA-N
MW287.70 g/mol
LogP1.96
Rot. Bonds3

About 2-chloro-N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]acetamide

2-chloro-N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]acetamide (PubChem CID 118961268) has the molecular formula C12H12ClF2N3O and a molecular weight of 287.70 g/mol. Its IUPAC name is 2-chloro-N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]acetamide
PubChem CID118961268
Molecular FormulaC12H12ClF2N3O
Molecular Weight287.70 g/mol
Exact Mass287.06
IUPAC Name2-chloro-N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]acetamide
SMILESO=C(CCl)Nc1cccc(N2CC3C(C2)C3(F)F)n1
InChIInChI=1S/C12H12ClF2N3O/c13-4-11(19)17-9-2-1-3-10(16-9)18-5-7-8(6-18)12(7,14)15/h1-3,7-8H,4-6H2,(H,16,17,19)
InChIKeyMCDZDTBMPIEPOX-UHFFFAOYSA-N
XLogP1.96
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.70
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]acetamide?
The IUPAC name of 2-chloro-N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]acetamide (CID 118961268) is 2-chloro-N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-chloro-N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-chloro-N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]acetamide is O=C(CCl)Nc1cccc(N2CC3C(C2)C3(F)F)n1.
What is the InChIKey of 2-chloro-N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]acetamide?
The InChIKey is MCDZDTBMPIEPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF2N3O/c13-4-11(19)17-9-2-1-3-10(16-9)18-5-7-8(6-18)12(7,14)15/h1-3,7-8H,4-6H2,(H,16,17,19).
What are the key properties of 2-chloro-N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]acetamide?
2-chloro-N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]acetamide has a molecular weight of 287.70 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 118961268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).