2-chloro-6-(2-methoxyethoxy)pyridine-4-carbonitrile

C9H9ClN2O2 — CID 83073628

IUPAC2-chloro-6-(2-methoxyethoxy)pyridine-4-carbonitrile
SMILESCOCCOc1cc(C#N)cc(Cl)n1
InChIInChI=1S/C9H9ClN2O2/c1-13-2-3-14-9-5-7(6-11)4-8(10)12-9/h4-5H,2-3H2,1H3
InChIKeyCRDUCLJVDKWWHI-UHFFFAOYSA-N
MW212.64 g/mol
LogP1.63
Rot. Bonds4

About 2-chloro-6-(2-methoxyethoxy)pyridine-4-carbonitrile

2-chloro-6-(2-methoxyethoxy)pyridine-4-carbonitrile (PubChem CID 83073628) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is 2-chloro-6-(2-methoxyethoxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-(2-methoxyethoxy)pyridine-4-carbonitrile
PubChem CID83073628
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC Name2-chloro-6-(2-methoxyethoxy)pyridine-4-carbonitrile
SMILESCOCCOc1cc(C#N)cc(Cl)n1
InChIInChI=1S/C9H9ClN2O2/c1-13-2-3-14-9-5-7(6-11)4-8(10)12-9/h4-5H,2-3H2,1H3
InChIKeyCRDUCLJVDKWWHI-UHFFFAOYSA-N
XLogP1.63
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-heptoxypyridine-4-carbonitrile
CID 83073210
2-[2-(2-methoxyethoxy)ethoxy]-6-methylpyridine-4-carbonitrile
CID 114766986
2-chloro-6-methoxypyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile
CID 159564472
2-chloro-6-prop-2-ynoxypyridine-4-carbonitrile
CID 83073912
2-chloro-6-(2-cyclobutylethoxy)pyridine-4-carbonitrile
CID 106201384
2-chloro-6-[4-(2-methoxyethyl)phenoxy]pyridine-4-carbonitrile
CID 83074306
sodium;2-chloro-6-methoxypyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;methanolate
CID 162232377
3,5-dichloro-4-(2-methoxyethoxy)benzonitrile
CID 164888287
2-chloro-6-(2,2,3,3-tetrafluoropropoxy)pyridine-4-carbonitrile
CID 83073911
2-chloro-6-(3-ethoxyphenoxy)pyridine-4-carbonitrile
CID 83073226
2-chloro-6-(4-fluoro-3-methoxyphenoxy)pyridine-4-carbonitrile
CID 166799798
2-chloro-6-(4-methylcyclohexyl)oxypyridine-4-carbonitrile
CID 83073499

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-methoxyethoxy)pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-(2-methoxyethoxy)pyridine-4-carbonitrile (CID 83073628) is 2-chloro-6-(2-methoxyethoxy)pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-(2-methoxyethoxy)pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-(2-methoxyethoxy)pyridine-4-carbonitrile is COCCOc1cc(C#N)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-(2-methoxyethoxy)pyridine-4-carbonitrile?
The InChIKey is CRDUCLJVDKWWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c1-13-2-3-14-9-5-7(6-11)4-8(10)12-9/h4-5H,2-3H2,1H3.
What are the key properties of 2-chloro-6-(2-methoxyethoxy)pyridine-4-carbonitrile?
2-chloro-6-(2-methoxyethoxy)pyridine-4-carbonitrile has a molecular weight of 212.64 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-methoxyethoxy)pyridine-4-carbonitrile is sourced from PubChem (CID 83073628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).