3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-4-carbonitrile

C12H15N3O — CID 102780843

IUPAC3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-4-carbonitrile
SMILESCC1CCN(c2cnccc2C#N)C1CO
InChIInChI=1S/C12H15N3O/c1-9-3-5-15(12(9)8-16)11-7-14-4-2-10(11)6-13/h2,4,7,9,12,16H,3,5,8H2,1H3
InChIKeyFAINFELOEFLCOX-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.16
Rot. Bonds2

About 3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-4-carbonitrile

3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-4-carbonitrile (PubChem CID 102780843) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-4-carbonitrile
PubChem CID102780843
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-4-carbonitrile
SMILESCC1CCN(c2cnccc2C#N)C1CO
InChIInChI=1S/C12H15N3O/c1-9-3-5-15(12(9)8-16)11-7-14-4-2-10(11)6-13/h2,4,7,9,12,16H,3,5,8H2,1H3
InChIKeyFAINFELOEFLCOX-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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Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-4-carbonitrile (CID 102780843) is 3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-4-carbonitrile is CC1CCN(c2cnccc2C#N)C1CO.
What is the InChIKey of 3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-4-carbonitrile?
The InChIKey is FAINFELOEFLCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-3-5-15(12(9)8-16)11-7-14-4-2-10(11)6-13/h2,4,7,9,12,16H,3,5,8H2,1H3.
What are the key properties of 3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-4-carbonitrile?
3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-4-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 3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 102780843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).