[1-(6-amino-3,5-difluoro-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanol

C11H15F2N3O — CID 114074767

IUPAC[1-(6-amino-3,5-difluoro-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(c2nc(N)c(F)cc2F)C1CO
InChIInChI=1S/C11H15F2N3O/c1-6-2-3-16(9(6)5-17)11-8(13)4-7(12)10(14)15-11/h4,6,9,17H,2-3,5H2,1H3,(H2,14,15)
InChIKeyPKGSWWHGGVRDOA-UHFFFAOYSA-N
MW243.26 g/mol
LogP1.15
Rot. Bonds2

About [1-(6-amino-3,5-difluoro-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanol

[1-(6-amino-3,5-difluoro-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanol (PubChem CID 114074767) has the molecular formula C11H15F2N3O and a molecular weight of 243.26 g/mol. Its IUPAC name is [1-(6-amino-3,5-difluoro-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(6-amino-3,5-difluoro-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanol
PubChem CID114074767
Molecular FormulaC11H15F2N3O
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name[1-(6-amino-3,5-difluoro-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(c2nc(N)c(F)cc2F)C1CO
InChIInChI=1S/C11H15F2N3O/c1-6-2-3-16(9(6)5-17)11-8(13)4-7(12)10(14)15-11/h4,6,9,17H,2-3,5H2,1H3,(H2,14,15)
InChIKeyPKGSWWHGGVRDOA-UHFFFAOYSA-N
XLogP1.15
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S,3R)-1-(3-fluoro-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanol
CID 129413727
[1-(2-amino-5-bromopyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102789914
[1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102787035
[1-(6-aminopyrazin-2-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102789805
3,5-difluoro-N'-hydroxy-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]benzenecarboximidamide
CID 102781366
[1-(4-aminophenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777231
6-(2,4-dimethyl-1,4-diazepan-1-yl)-3,5-difluoropyridin-2-amine
CID 114088550
[1-(2,5-dichloropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102784143
[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102786850
[1-(2-aminophenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777296
3-fluoro-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-4-carboxylic acid
CID 102781599
[1-[2-[(1R)-1-aminoethyl]-4-fluoro-5-methylphenyl]-3-methylpyrrolidin-2-yl]methanol
CID 102781840

Frequently Asked Questions

What is the IUPAC name of [1-(6-amino-3,5-difluoro-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-(6-amino-3,5-difluoro-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanol (CID 114074767) is [1-(6-amino-3,5-difluoro-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(6-amino-3,5-difluoro-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(6-amino-3,5-difluoro-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanol is CC1CCN(c2nc(N)c(F)cc2F)C1CO.
What is the InChIKey of [1-(6-amino-3,5-difluoro-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is PKGSWWHGGVRDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O/c1-6-2-3-16(9(6)5-17)11-8(13)4-7(12)10(14)15-11/h4,6,9,17H,2-3,5H2,1H3,(H2,14,15).
What are the key properties of [1-(6-amino-3,5-difluoro-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanol?
[1-(6-amino-3,5-difluoro-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 243.26 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-amino-3,5-difluoro-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 114074767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).