2-chloro-4-ethyl-5-iodopyridine

C7H7ClIN — CID 58200728

IUPAC2-chloro-4-ethyl-5-iodopyridine
SMILESCCc1cc(Cl)ncc1I
InChIInChI=1S/C7H7ClIN/c1-2-5-3-7(8)10-4-6(5)9/h3-4H,2H2,1H3
InChIKeyTWNDJERDAIBQFV-UHFFFAOYSA-N
MW267.50 g/mol
LogP2.90
Rot. Bonds1

About 2-chloro-4-ethyl-5-iodopyridine

2-chloro-4-ethyl-5-iodopyridine (PubChem CID 58200728) has the molecular formula C7H7ClIN and a molecular weight of 267.50 g/mol. Its IUPAC name is 2-chloro-4-ethyl-5-iodopyridine.

Molecular Properties

Compound Name2-chloro-4-ethyl-5-iodopyridine
PubChem CID58200728
Molecular FormulaC7H7ClIN
Molecular Weight267.50 g/mol
Exact Mass266.93
IUPAC Name2-chloro-4-ethyl-5-iodopyridine
SMILESCCc1cc(Cl)ncc1I
InChIInChI=1S/C7H7ClIN/c1-2-5-3-7(8)10-4-6(5)9/h3-4H,2H2,1H3
InChIKeyTWNDJERDAIBQFV-UHFFFAOYSA-N
XLogP2.90
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.50
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethyl-5-iodopyridine?
The IUPAC name of 2-chloro-4-ethyl-5-iodopyridine (CID 58200728) is 2-chloro-4-ethyl-5-iodopyridine.
What is the SMILES notation for 2-chloro-4-ethyl-5-iodopyridine?
The canonical SMILES for 2-chloro-4-ethyl-5-iodopyridine is CCc1cc(Cl)ncc1I.
What is the InChIKey of 2-chloro-4-ethyl-5-iodopyridine?
The InChIKey is TWNDJERDAIBQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClIN/c1-2-5-3-7(8)10-4-6(5)9/h3-4H,2H2,1H3.
What are the key properties of 2-chloro-4-ethyl-5-iodopyridine?
2-chloro-4-ethyl-5-iodopyridine has a molecular weight of 267.50 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethyl-5-iodopyridine is sourced from PubChem (CID 58200728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).