2-chloro-5-ethylpyridine-3-carbonitrile

C8H7ClN2 — CID 14569539

IUPAC2-chloro-5-ethylpyridine-3-carbonitrile
SMILESCCc1cnc(Cl)c(C#N)c1
InChIInChI=1S/C8H7ClN2/c1-2-6-3-7(4-10)8(9)11-5-6/h3,5H,2H2,1H3
InChIKeyJPWSGZAPTSNGGS-UHFFFAOYSA-N
MW166.61 g/mol
LogP2.17
Rot. Bonds1

About 2-chloro-5-ethylpyridine-3-carbonitrile

2-chloro-5-ethylpyridine-3-carbonitrile (PubChem CID 14569539) has the molecular formula C8H7ClN2 and a molecular weight of 166.61 g/mol. Its IUPAC name is 2-chloro-5-ethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-5-ethylpyridine-3-carbonitrile
PubChem CID14569539
Molecular FormulaC8H7ClN2
Molecular Weight166.61 g/mol
Exact Mass166.03
IUPAC Name2-chloro-5-ethylpyridine-3-carbonitrile
SMILESCCc1cnc(Cl)c(C#N)c1
InChIInChI=1S/C8H7ClN2/c1-2-6-3-7(4-10)8(9)11-5-6/h3,5H,2H2,1H3
InChIKeyJPWSGZAPTSNGGS-UHFFFAOYSA-N
XLogP2.17
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.61
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-5-ethylpyridine-3-carbonitrile?
The IUPAC name of 2-chloro-5-ethylpyridine-3-carbonitrile (CID 14569539) is 2-chloro-5-ethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-5-ethylpyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-5-ethylpyridine-3-carbonitrile is CCc1cnc(Cl)c(C#N)c1.
What is the InChIKey of 2-chloro-5-ethylpyridine-3-carbonitrile?
The InChIKey is JPWSGZAPTSNGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2/c1-2-6-3-7(4-10)8(9)11-5-6/h3,5H,2H2,1H3.
What are the key properties of 2-chloro-5-ethylpyridine-3-carbonitrile?
2-chloro-5-ethylpyridine-3-carbonitrile has a molecular weight of 166.61 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-ethylpyridine-3-carbonitrile is sourced from PubChem (CID 14569539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).