2-chloro-6-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pyridine-4-carbonitrile

C13H16ClN3O — CID 83076327

IUPAC2-chloro-6-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1cc(Cl)nc(N2CCCC2CCCO)c1
InChIInChI=1S/C13H16ClN3O/c14-12-7-10(9-15)8-13(16-12)17-5-1-3-11(17)4-2-6-18/h7-8,11,18H,1-6H2
InChIKeyNBOJFNBJPPACEY-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.35
Rot. Bonds4

About 2-chloro-6-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pyridine-4-carbonitrile

2-chloro-6-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pyridine-4-carbonitrile (PubChem CID 83076327) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 2-chloro-6-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pyridine-4-carbonitrile
PubChem CID83076327
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name2-chloro-6-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pyridine-4-carbonitrile
SMILESN#Cc1cc(Cl)nc(N2CCCC2CCCO)c1
InChIInChI=1S/C13H16ClN3O/c14-12-7-10(9-15)8-13(16-12)17-5-1-3-11(17)4-2-6-18/h7-8,11,18H,1-6H2
InChIKeyNBOJFNBJPPACEY-UHFFFAOYSA-N
XLogP2.35
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridine-4-carbonitrile
CID 83076830
3-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
CID 80951421
3-[1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol
CID 113400951
3-bromo-5-[2-(3-hydroxypropyl)pyrrolidin-1-yl]benzonitrile
CID 102816196
3-[1-(6-chloropyridazin-3-yl)pyrrolidin-2-yl]propan-1-ol
CID 62468492
3-[1-(2,6-diaminopyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
CID 80827064
2-[1-(4-amino-6-chloro-2-pyridinyl)piperidin-2-yl]ethanol
CID 114070518
3-[1-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
CID 80964581
3-[1-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
CID 80964573
2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-6-chloropyridine-4-carbonitrile
CID 83076239
2-[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperidin-2-yl]ethanol
CID 80948989
3-[1-(6-amino-2-ethylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
CID 80935418

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pyridine-4-carbonitrile (CID 83076327) is 2-chloro-6-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pyridine-4-carbonitrile is N#Cc1cc(Cl)nc(N2CCCC2CCCO)c1.
What is the InChIKey of 2-chloro-6-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pyridine-4-carbonitrile?
The InChIKey is NBOJFNBJPPACEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c14-12-7-10(9-15)8-13(16-12)17-5-1-3-11(17)4-2-6-18/h7-8,11,18H,1-6H2.
What are the key properties of 2-chloro-6-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pyridine-4-carbonitrile?
2-chloro-6-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pyridine-4-carbonitrile has a molecular weight of 265.74 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[2-(3-hydroxypropyl)pyrrolidin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 83076327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).