[1-(3-cyano-6-methyl-2-pyridinyl)pyrrolidin-3-yl] hypofluorite;ethane

C13H18FN3O — CID 144625430

IUPAC[1-(3-cyano-6-methyl-2-pyridinyl)pyrrolidin-3-yl] hypofluorite;ethane
SMILESCC.Cc1ccc(C#N)c(N2CCC(OF)C2)n1
InChIInChI=1S/C11H12FN3O.C2H6/c1-8-2-3-9(6-13)11(14-8)15-5-4-10(7-15)16-12;1-2/h2-3,10H,4-5,7H2,1H3;1-2H3
InChIKeyMNHLBWNEIFGMSM-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.77
Rot. Bonds2

About [1-(3-cyano-6-methyl-2-pyridinyl)pyrrolidin-3-yl] hypofluorite;ethane

[1-(3-cyano-6-methyl-2-pyridinyl)pyrrolidin-3-yl] hypofluorite;ethane (PubChem CID 144625430) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is [1-(3-cyano-6-methyl-2-pyridinyl)pyrrolidin-3-yl] hypofluorite;ethane.

Molecular Properties

Compound Name[1-(3-cyano-6-methyl-2-pyridinyl)pyrrolidin-3-yl] hypofluorite;ethane
PubChem CID144625430
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name[1-(3-cyano-6-methyl-2-pyridinyl)pyrrolidin-3-yl] hypofluorite;ethane
SMILESCC.Cc1ccc(C#N)c(N2CCC(OF)C2)n1
InChIInChI=1S/C11H12FN3O.C2H6/c1-8-2-3-9(6-13)11(14-8)15-5-4-10(7-15)16-12;1-2/h2-3,10H,4-5,7H2,1H3;1-2H3
InChIKeyMNHLBWNEIFGMSM-UHFFFAOYSA-N
XLogP2.77
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-[3-(methylamino)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 115300809
6-methyl-2-(2-methylthiomorpholin-4-yl)pyridine-3-carbonitrile
CID 115871169
2-[3-(methoxymethyl)piperidin-1-yl]-6-methylpyridine-3-carbonitrile
CID 113343675
2-[3-(difluoromethyl)azetidin-1-yl]-6-methylpyridine-3-carbonitrile
CID 171994335
acetic acid;[1-(3-cyano-6-methyl-2-pyridinyl)piperidin-4-yl] 2,2,2-trifluoroacetate
CID 66879573
6-methyl-2-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)pyridine-3-carbonitrile
CID 57401602
2-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-6-methylpyridine-3-carbonitrile
CID 172899335
2-[(3S)-4-(2,2-difluoroethyl)-3-ethylpiperazin-1-yl]-6-methylpyridine-3-carbonitrile
CID 124596688
6-methyl-2-(4-methylsulfanylazepan-1-yl)pyridine-3-carbonitrile
CID 114237200
ethyl 4-[1-(3-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]piperazine-1-carboxylate
CID 56882105
6-methyl-2-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 125141410
2-(1,3-dihydroisoindol-2-yl)-6-methylpyridine-3-carbonitrile
CID 62232169

Frequently Asked Questions

What is the IUPAC name of [1-(3-cyano-6-methyl-2-pyridinyl)pyrrolidin-3-yl] hypofluorite;ethane?
The IUPAC name of [1-(3-cyano-6-methyl-2-pyridinyl)pyrrolidin-3-yl] hypofluorite;ethane (CID 144625430) is [1-(3-cyano-6-methyl-2-pyridinyl)pyrrolidin-3-yl] hypofluorite;ethane.
What is the SMILES notation for [1-(3-cyano-6-methyl-2-pyridinyl)pyrrolidin-3-yl] hypofluorite;ethane?
The canonical SMILES for [1-(3-cyano-6-methyl-2-pyridinyl)pyrrolidin-3-yl] hypofluorite;ethane is CC.Cc1ccc(C#N)c(N2CCC(OF)C2)n1.
What is the InChIKey of [1-(3-cyano-6-methyl-2-pyridinyl)pyrrolidin-3-yl] hypofluorite;ethane?
The InChIKey is MNHLBWNEIFGMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O.C2H6/c1-8-2-3-9(6-13)11(14-8)15-5-4-10(7-15)16-12;1-2/h2-3,10H,4-5,7H2,1H3;1-2H3.
What are the key properties of [1-(3-cyano-6-methyl-2-pyridinyl)pyrrolidin-3-yl] hypofluorite;ethane?
[1-(3-cyano-6-methyl-2-pyridinyl)pyrrolidin-3-yl] hypofluorite;ethane has a molecular weight of 251.30 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-cyano-6-methyl-2-pyridinyl)pyrrolidin-3-yl] hypofluorite;ethane is sourced from PubChem (CID 144625430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).