N-(2,6-difluoro-3-pyridinyl)bicyclo[3.1.0]hexane-3-carboxamide

C12H12F2N2O — CID 103098002

IUPACN-(2,6-difluoro-3-pyridinyl)bicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(Nc1ccc(F)nc1F)C1CC2CC2C1
InChIInChI=1S/C12H12F2N2O/c13-10-2-1-9(11(14)16-10)15-12(17)8-4-6-3-7(6)5-8/h1-2,6-8H,3-5H2,(H,15,17)
InChIKeyOTCUBEZZZMVAJK-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.34
Rot. Bonds2

About N-(2,6-difluoro-3-pyridinyl)bicyclo[3.1.0]hexane-3-carboxamide

N-(2,6-difluoro-3-pyridinyl)bicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 103098002) has the molecular formula C12H12F2N2O and a molecular weight of 238.24 g/mol. Its IUPAC name is N-(2,6-difluoro-3-pyridinyl)bicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluoro-3-pyridinyl)bicyclo[3.1.0]hexane-3-carboxamide
PubChem CID103098002
Molecular FormulaC12H12F2N2O
Molecular Weight238.24 g/mol
Exact Mass238.09
IUPAC NameN-(2,6-difluoro-3-pyridinyl)bicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(Nc1ccc(F)nc1F)C1CC2CC2C1
InChIInChI=1S/C12H12F2N2O/c13-10-2-1-9(11(14)16-10)15-12(17)8-4-6-3-7(6)5-8/h1-2,6-8H,3-5H2,(H,15,17)
InChIKeyOTCUBEZZZMVAJK-UHFFFAOYSA-N
XLogP2.34
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluoro-3-pyridinyl)bicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of N-(2,6-difluoro-3-pyridinyl)bicyclo[3.1.0]hexane-3-carboxamide (CID 103098002) is N-(2,6-difluoro-3-pyridinyl)bicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for N-(2,6-difluoro-3-pyridinyl)bicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for N-(2,6-difluoro-3-pyridinyl)bicyclo[3.1.0]hexane-3-carboxamide is O=C(Nc1ccc(F)nc1F)C1CC2CC2C1.
What is the InChIKey of N-(2,6-difluoro-3-pyridinyl)bicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is OTCUBEZZZMVAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O/c13-10-2-1-9(11(14)16-10)15-12(17)8-4-6-3-7(6)5-8/h1-2,6-8H,3-5H2,(H,15,17).
What are the key properties of N-(2,6-difluoro-3-pyridinyl)bicyclo[3.1.0]hexane-3-carboxamide?
N-(2,6-difluoro-3-pyridinyl)bicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 238.24 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluoro-3-pyridinyl)bicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 103098002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).