2-chloro-4-iodopyridine;2-ethoxy-4-iodopyridine

C12H11ClI2N2O — CID 158706729

IUPAC2-chloro-4-iodopyridine;2-ethoxy-4-iodopyridine
SMILESCCOc1cc(I)ccn1.Clc1cc(I)ccn1
InChIInChI=1S/C7H8INO.C5H3ClIN/c1-2-10-7-5-6(8)3-4-9-7;6-5-3-4(7)1-2-8-5/h3-5H,2H2,1H3;1-3H
InChIKeyIIEWZHAZBLYSLY-UHFFFAOYSA-N
MW488.49 g/mol
LogP4.42
Rot. Bonds2

About 2-chloro-4-iodopyridine;2-ethoxy-4-iodopyridine

2-chloro-4-iodopyridine;2-ethoxy-4-iodopyridine (PubChem CID 158706729) has the molecular formula C12H11ClI2N2O and a molecular weight of 488.49 g/mol. Its IUPAC name is 2-chloro-4-iodopyridine;2-ethoxy-4-iodopyridine.

Molecular Properties

Compound Name2-chloro-4-iodopyridine;2-ethoxy-4-iodopyridine
PubChem CID158706729
Molecular FormulaC12H11ClI2N2O
Molecular Weight488.49 g/mol
Exact Mass487.86
IUPAC Name2-chloro-4-iodopyridine;2-ethoxy-4-iodopyridine
SMILESCCOc1cc(I)ccn1.Clc1cc(I)ccn1
InChIInChI=1S/C7H8INO.C5H3ClIN/c1-2-10-7-5-6(8)3-4-9-7;6-5-3-4(7)1-2-8-5/h3-5H,2H2,1H3;1-3H
InChIKeyIIEWZHAZBLYSLY-UHFFFAOYSA-N
XLogP4.42
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.49
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-2-propoxypyridine
CID 66614410
4-bromo-2-ethoxypyridine
CID 2762557
2-(2-ethoxy-4-pyridinyl)-N-methylethanamine
CID 83875505
2-chloro-4-(3-chloro-4-ethoxyphenyl)pyridine
CID 164891716
2-chloro-4-(fluoromethyl)pyridine
CID 105428891
5-chloro-3-[(2-ethoxy-4-pyridinyl)methyl]imidazo[4,5-b]pyridine
CID 167902238
(2-chloro-4-pyridinyl)-triethylsilane
CID 151725839
2-[4-(2-chloro-4-pyridinyl)piperazin-1-yl]-4-ethoxy-6-methylpyrimidine
CID 133379177
5-(chloromethyl)-2-ethoxy-3-(2-ethoxy-4-pyridinyl)pyridine
CID 118654823
8-chloro-2-ethoxy-1,5-naphthyridine
CID 602078
2-chloro-4-(chloromethyl)pyridine
CID 11126573
4-chloro-2-ethoxypyrimidine
CID 13244895

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-iodopyridine;2-ethoxy-4-iodopyridine?
The IUPAC name of 2-chloro-4-iodopyridine;2-ethoxy-4-iodopyridine (CID 158706729) is 2-chloro-4-iodopyridine;2-ethoxy-4-iodopyridine.
What is the SMILES notation for 2-chloro-4-iodopyridine;2-ethoxy-4-iodopyridine?
The canonical SMILES for 2-chloro-4-iodopyridine;2-ethoxy-4-iodopyridine is CCOc1cc(I)ccn1.Clc1cc(I)ccn1.
What is the InChIKey of 2-chloro-4-iodopyridine;2-ethoxy-4-iodopyridine?
The InChIKey is IIEWZHAZBLYSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8INO.C5H3ClIN/c1-2-10-7-5-6(8)3-4-9-7;6-5-3-4(7)1-2-8-5/h3-5H,2H2,1H3;1-3H.
What are the key properties of 2-chloro-4-iodopyridine;2-ethoxy-4-iodopyridine?
2-chloro-4-iodopyridine;2-ethoxy-4-iodopyridine has a molecular weight of 488.49 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-iodopyridine;2-ethoxy-4-iodopyridine is sourced from PubChem (CID 158706729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).