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'}

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

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Related Compounds

2-chloroacetyl chloride;2-chloro-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-pyridinyl]acetamide;6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridin-2-amine
CID 158665065
N-[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-pyridinyl]-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxo-4,5-dihydropurin-7-yl]acetamide
CID 139269486
1-[6-(methylamino)-2-pyridinyl]pyrrolidine-3,4-diol
CID 106674459
[2-bromo-6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methanol
CID 156825854
6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-ethylpyridine-3-carbaldehyde
CID 156826505
[6-(1-oxa-6-azaspiro[3.3]heptan-6-yl)-2-pyridinyl]carbamic acid
CID 70653830
6-[6-[(5R)-6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]pyridin-2-amine
CID 146223344
tert-butyl N-[6-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-2-pyridinyl]carbamate
CID 168506921
4-bromo-N-(6-bromo-2-pyridinyl)butanamide
CID 134366786
2-chloro-N-(2-chloropyrimidin-4-yl)acetamide
CID 116794848
3-chloro-N-[6-[(3-chloro-2,2-dimethylpropanoyl)amino]-2-pyridinyl]-2,2-dimethylpropanamide
CID 2767546
1-[6-(propylamino)-2-pyridinyl]piperidine-4-carboxamide
CID 80754030

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).