2-chloro-6-(3-propoxypiperidin-1-yl)pyridine-4-carbonitrile

C14H18ClN3O — CID 83073559

IUPAC2-chloro-6-(3-propoxypiperidin-1-yl)pyridine-4-carbonitrile
SMILESCCCOC1CCCN(c2cc(C#N)cc(Cl)n2)C1
InChIInChI=1S/C14H18ClN3O/c1-2-6-19-12-4-3-5-18(10-12)14-8-11(9-16)7-13(15)17-14/h7-8,12H,2-6,10H2,1H3
InChIKeyRIHSMLWLESCDQK-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.00
Rot. Bonds4

About 2-chloro-6-(3-propoxypiperidin-1-yl)pyridine-4-carbonitrile

2-chloro-6-(3-propoxypiperidin-1-yl)pyridine-4-carbonitrile (PubChem CID 83073559) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 2-chloro-6-(3-propoxypiperidin-1-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-(3-propoxypiperidin-1-yl)pyridine-4-carbonitrile
PubChem CID83073559
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name2-chloro-6-(3-propoxypiperidin-1-yl)pyridine-4-carbonitrile
SMILESCCCOC1CCCN(c2cc(C#N)cc(Cl)n2)C1
InChIInChI=1S/C14H18ClN3O/c1-2-6-19-12-4-3-5-18(10-12)14-8-11(9-16)7-13(15)17-14/h7-8,12H,2-6,10H2,1H3
InChIKeyRIHSMLWLESCDQK-UHFFFAOYSA-N
XLogP3.00
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4,6-Dimethyl-2-(morpholin-4-yl)pyridine-3-carbonitrile
CID 698057
4-Methyl-2,6-dimorpholin-4-ylpyridine-3-carbonitrile
CID 334860
2,4,5-Trichloro-6-(morpholin-4-yl)pyridine-3-carbonitrile
CID 757413
2-((2-Hydroxyethyl)(methyl)amino)-4-methyl-6-morpholinonicotinonitrile
CID 53370332
4-(6-Chloropyridin-2-YL)morpholine
CID 15534824
4-Methyl-2,6-bis(2-methylmorpholin-4-YL)pyridine-3-carbonitrile
CID 71996803
5-chloro-6-[(3S)-3-(2-methylpropyl)morpholin-4-yl]pyridine-3-carbonitrile
CID 95789107
2-Amino-6-(2-cyclopropyl-6-methylmorpholin-4-yl)pyridine-3-carbonitrile
CID 122154183
2-[(2R)-2-cyclopropylmorpholin-4-yl]-5,6-dimethylpyridine-3-carbonitrile
CID 129608570
(2R)-4-(5-chloro-6-methyl-2-pyridinyl)-2-cyclopropylmorpholine
CID 164639388
2-Chloro-4-(4-fluorophenyl)-6-morpholin-4-ylpyridine-3-carbonitrile
CID 13138571
2-Chloro-4-(2-fluorophenyl)-6-morpholin-4-ylpyridine-3-carbonitrile
CID 13138572

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3-propoxypiperidin-1-yl)pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-(3-propoxypiperidin-1-yl)pyridine-4-carbonitrile (CID 83073559) is 2-chloro-6-(3-propoxypiperidin-1-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-(3-propoxypiperidin-1-yl)pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-(3-propoxypiperidin-1-yl)pyridine-4-carbonitrile is CCCOC1CCCN(c2cc(C#N)cc(Cl)n2)C1.
What is the InChIKey of 2-chloro-6-(3-propoxypiperidin-1-yl)pyridine-4-carbonitrile?
The InChIKey is RIHSMLWLESCDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-2-6-19-12-4-3-5-18(10-12)14-8-11(9-16)7-13(15)17-14/h7-8,12H,2-6,10H2,1H3.
What are the key properties of 2-chloro-6-(3-propoxypiperidin-1-yl)pyridine-4-carbonitrile?
2-chloro-6-(3-propoxypiperidin-1-yl)pyridine-4-carbonitrile has a molecular weight of 279.77 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3-propoxypiperidin-1-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 83073559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).