4-iodo-2-propoxypyridine

C8H10INO — CID 66614410

IUPAC4-iodo-2-propoxypyridine
SMILESCCCOc1cc(I)ccn1
InChIInChI=1S/C8H10INO/c1-2-5-11-8-6-7(9)3-4-10-8/h3-4,6H,2,5H2,1H3
InChIKeyHEBNLYZZBJXABK-UHFFFAOYSA-N
MW263.08 g/mol
LogP2.47
Rot. Bonds3

About 4-iodo-2-propoxypyridine

4-iodo-2-propoxypyridine (PubChem CID 66614410) has the molecular formula C8H10INO and a molecular weight of 263.08 g/mol. Its IUPAC name is 4-iodo-2-propoxypyridine.

Molecular Properties

Compound Name4-iodo-2-propoxypyridine
PubChem CID66614410
Molecular FormulaC8H10INO
Molecular Weight263.08 g/mol
Exact Mass262.98
IUPAC Name4-iodo-2-propoxypyridine
SMILESCCCOc1cc(I)ccn1
InChIInChI=1S/C8H10INO/c1-2-5-11-8-6-7(9)3-4-10-8/h3-4,6H,2,5H2,1H3
InChIKeyHEBNLYZZBJXABK-UHFFFAOYSA-N
XLogP2.47
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.08
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methoxypyridine
CID 74201
3-(2-(N,N,N-trimethylammonium)ethoxy)pyridine
CID 9794401
5-Amino-2-butoxypyridine
CID 68314
Pyridine, 2-methoxy-4-(trifluoromethyl)-
CID 18539797
2-Ethoxypyridine
CID 84499
2,6-Bis(2-(dimethylamino)ethoxy)pyridine
CID 96392
N-methyl-2-(pyridin-3-yloxy)ethanamine
CID 9793858
N,N-dimethyl-2-(pyridin-3-yloxy)ethanamine
CID 10197862
(2-Methoxypyridin-4-yl)methanamine
CID 16227983
2-Methoxypyridin-4-amine
CID 280891
Allyl 2-pyridyl ether
CID 79906
2-(Benzyloxy)pyridine
CID 295859

Frequently Asked Questions

What is the IUPAC name of 4-iodo-2-propoxypyridine?
The IUPAC name of 4-iodo-2-propoxypyridine (CID 66614410) is 4-iodo-2-propoxypyridine.
What is the SMILES notation for 4-iodo-2-propoxypyridine?
The canonical SMILES for 4-iodo-2-propoxypyridine is CCCOc1cc(I)ccn1.
What is the InChIKey of 4-iodo-2-propoxypyridine?
The InChIKey is HEBNLYZZBJXABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10INO/c1-2-5-11-8-6-7(9)3-4-10-8/h3-4,6H,2,5H2,1H3.
What are the key properties of 4-iodo-2-propoxypyridine?
4-iodo-2-propoxypyridine has a molecular weight of 263.08 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2-propoxypyridine is sourced from PubChem (CID 66614410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).