6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-3-carbonitrile

C12H15N3O — CID 102780806

IUPAC6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESCC1CCN(c2ccc(C#N)cn2)C1CO
InChIInChI=1S/C12H15N3O/c1-9-4-5-15(11(9)8-16)12-3-2-10(6-13)7-14-12/h2-3,7,9,11,16H,4-5,8H2,1H3
InChIKeyLGWFVNWYASTFPX-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.16
Rot. Bonds2

About 6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-3-carbonitrile

6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-3-carbonitrile (PubChem CID 102780806) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-3-carbonitrile
PubChem CID102780806
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESCC1CCN(c2ccc(C#N)cn2)C1CO
InChIInChI=1S/C12H15N3O/c1-9-4-5-15(11(9)8-16)12-3-2-10(6-13)7-14-12/h2-3,7,9,11,16H,4-5,8H2,1H3
InChIKeyLGWFVNWYASTFPX-UHFFFAOYSA-N
XLogP1.16
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-pyridinyl]ethanol
CID 102782297
4-amino-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]benzonitrile
CID 102777517
[1-[5-(hydroxymethyl)pyrazin-2-yl]-3-methylpyrrolidin-2-yl]methanol
CID 107372994
3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]benzonitrile
CID 102817599
3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-4-carbonitrile
CID 102780843
(3-methyl-1-quinoxalin-2-ylpyrrolidin-2-yl)methanol
CID 102786728
6-(2-formylpiperidin-1-yl)pyridine-3-carbonitrile
CID 62662719
(1S)-1-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-4-pyridinyl]ethanol
CID 102782329
6-[2-(bromomethyl)-3-methylpyrrolidine-1-carbonyl]pyridine-3-carbonitrile
CID 102788235
(2S)-1-(5-cyano-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 30078852
2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-5-methylbenzonitrile
CID 107927925
6-(4-methylazepan-1-yl)pyridine-3-carbonitrile
CID 62045126

Frequently Asked Questions

What is the IUPAC name of 6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-3-carbonitrile (CID 102780806) is 6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-3-carbonitrile is CC1CCN(c2ccc(C#N)cn2)C1CO.
What is the InChIKey of 6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is LGWFVNWYASTFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-4-5-15(11(9)8-16)12-3-2-10(6-13)7-14-12/h2-3,7,9,11,16H,4-5,8H2,1H3.
What are the key properties of 6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-3-carbonitrile?
6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 217.27 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 102780806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).