2-chloro-6-ethoxypyridine-3-carbonitrile

C8H7ClN2O — CID 14687435

IUPAC2-chloro-6-ethoxypyridine-3-carbonitrile
SMILESCCOc1ccc(C#N)c(Cl)n1
InChIInChI=1S/C8H7ClN2O/c1-2-12-7-4-3-6(5-10)8(9)11-7/h3-4H,2H2,1H3
InChIKeySWENLKAQAXOFCK-UHFFFAOYSA-N
MW182.61 g/mol
LogP2.01
Rot. Bonds2

About 2-chloro-6-ethoxypyridine-3-carbonitrile

2-chloro-6-ethoxypyridine-3-carbonitrile (PubChem CID 14687435) has the molecular formula C8H7ClN2O and a molecular weight of 182.61 g/mol. Its IUPAC name is 2-chloro-6-ethoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-ethoxypyridine-3-carbonitrile
PubChem CID14687435
Molecular FormulaC8H7ClN2O
Molecular Weight182.61 g/mol
Exact Mass182.02
IUPAC Name2-chloro-6-ethoxypyridine-3-carbonitrile
SMILESCCOc1ccc(C#N)c(Cl)n1
InChIInChI=1S/C8H7ClN2O/c1-2-12-7-4-3-6(5-10)8(9)11-7/h3-4H,2H2,1H3
InChIKeySWENLKAQAXOFCK-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethoxypyridine-3-carbonitrile?
The IUPAC name of 2-chloro-6-ethoxypyridine-3-carbonitrile (CID 14687435) is 2-chloro-6-ethoxypyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-6-ethoxypyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-6-ethoxypyridine-3-carbonitrile is CCOc1ccc(C#N)c(Cl)n1.
What is the InChIKey of 2-chloro-6-ethoxypyridine-3-carbonitrile?
The InChIKey is SWENLKAQAXOFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O/c1-2-12-7-4-3-6(5-10)8(9)11-7/h3-4H,2H2,1H3.
What are the key properties of 2-chloro-6-ethoxypyridine-3-carbonitrile?
2-chloro-6-ethoxypyridine-3-carbonitrile has a molecular weight of 182.61 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethoxypyridine-3-carbonitrile is sourced from PubChem (CID 14687435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).