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

C12H11F2N3 — CID 170765192

IUPAC6-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NC2CC3C(C2)C3(F)F)nc1
InChIInChI=1S/C12H11F2N3/c13-12(14)9-3-8(4-10(9)12)17-11-2-1-7(5-15)6-16-11/h1-2,6,8-10H,3-4H2,(H,16,17)
InChIKeyNNPYANLGWAUKCR-UHFFFAOYSA-N
MW235.24 g/mol
LogP2.41
Rot. Bonds2

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

6-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)amino]pyridine-3-carbonitrile (PubChem CID 170765192) has the molecular formula C12H11F2N3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 6-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)amino]pyridine-3-carbonitrile
PubChem CID170765192
Molecular FormulaC12H11F2N3
Molecular Weight235.24 g/mol
Exact Mass235.09
IUPAC Name6-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NC2CC3C(C2)C3(F)F)nc1
InChIInChI=1S/C12H11F2N3/c13-12(14)9-3-8(4-10(9)12)17-11-2-1-7(5-15)6-16-11/h1-2,6,8-10H,3-4H2,(H,16,17)
InChIKeyNNPYANLGWAUKCR-UHFFFAOYSA-N
XLogP2.41
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(4-hydroxycyclohexyl)amino]pyridine-3-carbonitrile
CID 24704980
6-[[(1S,3R)-3-methylcyclohexyl]amino]pyridine-3-carbonitrile
CID 93287060
6-[(2-aminocyclopropyl)amino]pyridine-3-carbonitrile
CID 43598833
6-[(3-methylsulfanylcyclopentyl)amino]pyridine-3-carbonitrile
CID 103704177
6-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-methylamino]pyridine-3-carbonitrile
CID 170765077
6-[(4-propylcyclohexyl)amino]pyridine-3-carbonitrile
CID 61371820
6-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)pyridine-3-carbonitrile
CID 133312990
6-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile
CID 129368242
6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]pyridine-3-carbonitrile
CID 133411893
6-[[(7R,8aS)-2-methyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-7-yl]amino]pyridine-3-carbonitrile
CID 131949635
6-[[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]amino]pyridine-3-carbonitrile
CID 126935035
tert-butyl (3R)-3-[(5-cyano-2-pyridinyl)amino]pyrrolidine-1-carboxylate
CID 66884944

Frequently Asked Questions

What is the IUPAC name of 6-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)amino]pyridine-3-carbonitrile (CID 170765192) is 6-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)amino]pyridine-3-carbonitrile is N#Cc1ccc(NC2CC3C(C2)C3(F)F)nc1.
What is the InChIKey of 6-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)amino]pyridine-3-carbonitrile?
The InChIKey is NNPYANLGWAUKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3/c13-12(14)9-3-8(4-10(9)12)17-11-2-1-7(5-15)6-16-11/h1-2,6,8-10H,3-4H2,(H,16,17).
What are the key properties of 6-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)amino]pyridine-3-carbonitrile?
6-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)amino]pyridine-3-carbonitrile has a molecular weight of 235.24 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 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)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 170765192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).