2-(chloromethyl)-5-[2-(oxan-2-yloxy)ethoxy]pyridine-4-carbonitrile

C14H17ClN2O3 — CID 163399060

IUPAC2-(chloromethyl)-5-[2-(oxan-2-yloxy)ethoxy]pyridine-4-carbonitrile
SMILESN#Cc1cc(CCl)ncc1OCCOC1CCCCO1
InChIInChI=1S/C14H17ClN2O3/c15-8-12-7-11(9-16)13(10-17-12)18-5-6-20-14-3-1-2-4-19-14/h7,10,14H,1-6,8H2
InChIKeyIPOQQVLOVKNNKL-UHFFFAOYSA-N
MW296.75 g/mol
LogP2.61
Rot. Bonds6

About 2-(chloromethyl)-5-[2-(oxan-2-yloxy)ethoxy]pyridine-4-carbonitrile

2-(chloromethyl)-5-[2-(oxan-2-yloxy)ethoxy]pyridine-4-carbonitrile (PubChem CID 163399060) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 2-(chloromethyl)-5-[2-(oxan-2-yloxy)ethoxy]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(chloromethyl)-5-[2-(oxan-2-yloxy)ethoxy]pyridine-4-carbonitrile
PubChem CID163399060
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name2-(chloromethyl)-5-[2-(oxan-2-yloxy)ethoxy]pyridine-4-carbonitrile
SMILESN#Cc1cc(CCl)ncc1OCCOC1CCCCO1
InChIInChI=1S/C14H17ClN2O3/c15-8-12-7-11(9-16)13(10-17-12)18-5-6-20-14-3-1-2-4-19-14/h7,10,14H,1-6,8H2
InChIKeyIPOQQVLOVKNNKL-UHFFFAOYSA-N
XLogP2.61
TPSA64.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4-[2-(oxan-2-yloxy)ethoxy]benzonitrile
CID 177043004
2-bromo-3-[4-(oxan-2-yloxy)butoxy]benzonitrile
CID 171476346
5-bromo-2-[2-(oxan-2-yloxy)ethoxy]pyridine
CID 150391771
2-[2-(2-bromophenoxy)ethoxy]oxane
CID 11087925
1-[2-[(2R)-oxan-2-yl]oxyethyl]imidazole-4,5-dicarbonitrile
CID 99838739
azane;5-fluoro-4-(4-fluorophenyl)pyridine-2-carbonitrile;4-(4-fluorophenyl)-5-(2-hydroxyethoxy)pyridine-2-carbonitrile;4-(4-fluorophenyl)-5-[2-(oxan-2-yloxy)ethoxy]pyridine-2-carbonitrile;methane;2-(oxan-2-yloxy)ethanol;phosphane;hydrate
CID 160854979
(2S)-2-(3-chloropropoxy)oxane
CID 36690971
2-(2-phenoxyethoxy)oxane
CID 11736193
2-(12-chlorododecoxy)oxane
CID 14014573
2-bromo-3-methyl-5-[2-(oxan-2-yloxy)ethoxy]pyridine
CID 178150765
2-(2-chloroethoxy)oxepane
CID 24977653
2-[2-(2-chloro-4-phenoxyphenoxy)ethoxy]oxane
CID 10760189

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-[2-(oxan-2-yloxy)ethoxy]pyridine-4-carbonitrile?
The IUPAC name of 2-(chloromethyl)-5-[2-(oxan-2-yloxy)ethoxy]pyridine-4-carbonitrile (CID 163399060) is 2-(chloromethyl)-5-[2-(oxan-2-yloxy)ethoxy]pyridine-4-carbonitrile.
What is the SMILES notation for 2-(chloromethyl)-5-[2-(oxan-2-yloxy)ethoxy]pyridine-4-carbonitrile?
The canonical SMILES for 2-(chloromethyl)-5-[2-(oxan-2-yloxy)ethoxy]pyridine-4-carbonitrile is N#Cc1cc(CCl)ncc1OCCOC1CCCCO1.
What is the InChIKey of 2-(chloromethyl)-5-[2-(oxan-2-yloxy)ethoxy]pyridine-4-carbonitrile?
The InChIKey is IPOQQVLOVKNNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c15-8-12-7-11(9-16)13(10-17-12)18-5-6-20-14-3-1-2-4-19-14/h7,10,14H,1-6,8H2.
What are the key properties of 2-(chloromethyl)-5-[2-(oxan-2-yloxy)ethoxy]pyridine-4-carbonitrile?
2-(chloromethyl)-5-[2-(oxan-2-yloxy)ethoxy]pyridine-4-carbonitrile has a molecular weight of 296.75 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-[2-(oxan-2-yloxy)ethoxy]pyridine-4-carbonitrile is sourced from PubChem (CID 163399060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).