6-(1-chloroethoxy)pyridine-3-carbonitrile

C8H7ClN2O — CID 143861415

IUPAC6-(1-chloroethoxy)pyridine-3-carbonitrile
SMILESCC(Cl)Oc1ccc(C#N)cn1
InChIInChI=1S/C8H7ClN2O/c1-6(9)12-8-3-2-7(4-10)5-11-8/h2-3,5-6H,1H3
InChIKeyPJGFREGXLMIKAF-UHFFFAOYSA-N
MW182.61 g/mol
LogP1.92
Rot. Bonds2

About 6-(1-chloroethoxy)pyridine-3-carbonitrile

6-(1-chloroethoxy)pyridine-3-carbonitrile (PubChem CID 143861415) has the molecular formula C8H7ClN2O and a molecular weight of 182.61 g/mol. Its IUPAC name is 6-(1-chloroethoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(1-chloroethoxy)pyridine-3-carbonitrile
PubChem CID143861415
Molecular FormulaC8H7ClN2O
Molecular Weight182.61 g/mol
Exact Mass182.02
IUPAC Name6-(1-chloroethoxy)pyridine-3-carbonitrile
SMILESCC(Cl)Oc1ccc(C#N)cn1
InChIInChI=1S/C8H7ClN2O/c1-6(9)12-8-3-2-7(4-10)5-11-8/h2-3,5-6H,1H3
InChIKeyPJGFREGXLMIKAF-UHFFFAOYSA-N
XLogP1.92
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(1-cyclopropylethoxy)pyridine-3-carbonitrile
CID 126955007
6-octan-2-yloxypyridine-3-carbonitrile
CID 43128061
6-[2-(propan-2-ylamino)ethoxy]pyridine-3-carbonitrile
CID 62348286
6-(2-ethoxyethoxy)pyridine-3-carbonitrile
CID 22939609
6-but-2-enoxypyridine-3-carbonitrile
CID 76938235
6-[2-(methylamino)ethoxy]pyridine-3-carbonitrile
CID 62349619
6-[3-(dimethylamino)-2,2-dimethylpropoxy]pyridine-3-carbonitrile
CID 157021835
6-[1-[4-(4-cyanophenyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile
CID 66999804
6-[5-(4-cyanophenoxy)pentoxy]pyridine-3-carbonitrile
CID 150538263
6-(2,5-dimethylphenoxy)pyridine-3-carbonitrile
CID 24698854
6-[(1S)-1-[(3R,4S)-4-(3,4-dichlorophenyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile
CID 59513651
6-[2-(3-methoxypropoxy)ethoxy]pyridine-3-carbonitrile
CID 103177589

Frequently Asked Questions

What is the IUPAC name of 6-(1-chloroethoxy)pyridine-3-carbonitrile?
The IUPAC name of 6-(1-chloroethoxy)pyridine-3-carbonitrile (CID 143861415) is 6-(1-chloroethoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(1-chloroethoxy)pyridine-3-carbonitrile?
The canonical SMILES for 6-(1-chloroethoxy)pyridine-3-carbonitrile is CC(Cl)Oc1ccc(C#N)cn1.
What is the InChIKey of 6-(1-chloroethoxy)pyridine-3-carbonitrile?
The InChIKey is PJGFREGXLMIKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O/c1-6(9)12-8-3-2-7(4-10)5-11-8/h2-3,5-6H,1H3.
What are the key properties of 6-(1-chloroethoxy)pyridine-3-carbonitrile?
6-(1-chloroethoxy)pyridine-3-carbonitrile has a molecular weight of 182.61 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-chloroethoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 143861415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).