6-chloro-4-ethylpyridine-2-carbaldehyde

C8H8ClNO — CID 130115423

IUPAC6-chloro-4-ethylpyridine-2-carbaldehyde
SMILESCCc1cc(Cl)nc(C=O)c1
InChIInChI=1S/C8H8ClNO/c1-2-6-3-7(5-11)10-8(9)4-6/h3-5H,2H2,1H3
InChIKeyFBOANAUPQBJFOT-UHFFFAOYSA-N
MW169.61 g/mol
LogP2.11
Rot. Bonds2

About 6-chloro-4-ethylpyridine-2-carbaldehyde

6-chloro-4-ethylpyridine-2-carbaldehyde (PubChem CID 130115423) has the molecular formula C8H8ClNO and a molecular weight of 169.61 g/mol. Its IUPAC name is 6-chloro-4-ethylpyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-chloro-4-ethylpyridine-2-carbaldehyde
PubChem CID130115423
Molecular FormulaC8H8ClNO
Molecular Weight169.61 g/mol
Exact Mass169.03
IUPAC Name6-chloro-4-ethylpyridine-2-carbaldehyde
SMILESCCc1cc(Cl)nc(C=O)c1
InChIInChI=1S/C8H8ClNO/c1-2-6-3-7(5-11)10-8(9)4-6/h3-5H,2H2,1H3
InChIKeyFBOANAUPQBJFOT-UHFFFAOYSA-N
XLogP2.11
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-ethylpyridine-2-carbaldehyde?
The IUPAC name of 6-chloro-4-ethylpyridine-2-carbaldehyde (CID 130115423) is 6-chloro-4-ethylpyridine-2-carbaldehyde.
What is the SMILES notation for 6-chloro-4-ethylpyridine-2-carbaldehyde?
The canonical SMILES for 6-chloro-4-ethylpyridine-2-carbaldehyde is CCc1cc(Cl)nc(C=O)c1.
What is the InChIKey of 6-chloro-4-ethylpyridine-2-carbaldehyde?
The InChIKey is FBOANAUPQBJFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO/c1-2-6-3-7(5-11)10-8(9)4-6/h3-5H,2H2,1H3.
What are the key properties of 6-chloro-4-ethylpyridine-2-carbaldehyde?
6-chloro-4-ethylpyridine-2-carbaldehyde has a molecular weight of 169.61 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-ethylpyridine-2-carbaldehyde is sourced from PubChem (CID 130115423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).