6-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-methylamino]pyridine-3-carbonitrile

C13H13F2N3 — CID 170765077

IUPAC6-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-methylamino]pyridine-3-carbonitrile
SMILESCN(c1ccc(C#N)cn1)C1CC2C(C1)C2(F)F
InChIInChI=1S/C13H13F2N3/c1-18(12-3-2-8(6-16)7-17-12)9-4-10-11(5-9)13(10,14)15/h2-3,7,9-11H,4-5H2,1H3
InChIKeyNXLCWKCNDWDXGO-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.43
Rot. Bonds2

About 6-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-methylamino]pyridine-3-carbonitrile

6-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-methylamino]pyridine-3-carbonitrile (PubChem CID 170765077) has the molecular formula C13H13F2N3 and a molecular weight of 249.26 g/mol. Its IUPAC name is 6-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-methylamino]pyridine-3-carbonitrile
PubChem CID170765077
Molecular FormulaC13H13F2N3
Molecular Weight249.26 g/mol
Exact Mass249.11
IUPAC Name6-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-methylamino]pyridine-3-carbonitrile
SMILESCN(c1ccc(C#N)cn1)C1CC2C(C1)C2(F)F
InChIInChI=1S/C13H13F2N3/c1-18(12-3-2-8(6-16)7-17-12)9-4-10-11(5-9)13(10,14)15/h2-3,7,9-11H,4-5H2,1H3
InChIKeyNXLCWKCNDWDXGO-UHFFFAOYSA-N
XLogP2.43
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(4,4-difluorocyclohexyl)-methylamino]pyridine-3-carbonitrile
CID 170765180
6-[cyclobutyl(methyl)amino]pyridine-3-carbonitrile
CID 115650122
6-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carbonitrile
CID 60706429
6-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)amino]pyridine-3-carbonitrile
CID 170765192
tert-butyl 3-[(5-cyano-2-pyridinyl)-methylamino]azetidine-1-carboxylate
CID 169219644
6-[[4-[3-(dimethylamino)prop-1-ynyl]cyclohexyl]-methylamino]pyridine-3-carbonitrile
CID 22236362
6-[[(1S,2S)-2-ethylcyclohexyl]-methylamino]pyridine-3-carbonitrile
CID 97026085
6-[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]pyridine-3-carbonitrile
CID 133356894
4-[(5-cyano-2-pyridinyl)-methylamino]oxolane-3-carboxylic acid
CID 66238193
6-[dimethylsulfamoyl(methyl)amino]pyridine-3-carbonitrile
CID 115268088
6-[methyl(3,3,3-trifluoropropyl)amino]pyridine-3-carbonitrile
CID 61397772
6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 43430337

Frequently Asked Questions

What is the IUPAC name of 6-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-methylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-methylamino]pyridine-3-carbonitrile (CID 170765077) is 6-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-methylamino]pyridine-3-carbonitrile is CN(c1ccc(C#N)cn1)C1CC2C(C1)C2(F)F.
What is the InChIKey of 6-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-methylamino]pyridine-3-carbonitrile?
The InChIKey is NXLCWKCNDWDXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3/c1-18(12-3-2-8(6-16)7-17-12)9-4-10-11(5-9)13(10,14)15/h2-3,7,9-11H,4-5H2,1H3.
What are the key properties of 6-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-methylamino]pyridine-3-carbonitrile?
6-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-methylamino]pyridine-3-carbonitrile has a molecular weight of 249.26 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 170765077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).