3-iodo-2-propoxypyridine

C8H10INO — CID 42553132

IUPAC3-iodo-2-propoxypyridine
SMILESCCCOc1ncccc1I
InChIInChI=1S/C8H10INO/c1-2-6-11-8-7(9)4-3-5-10-8/h3-5H,2,6H2,1H3
InChIKeyWWMBXRKMRZDRFH-UHFFFAOYSA-N
MW263.08 g/mol
LogP2.47
Rot. Bonds3

About 3-iodo-2-propoxypyridine

3-iodo-2-propoxypyridine (PubChem CID 42553132) has the molecular formula C8H10INO and a molecular weight of 263.08 g/mol. Its IUPAC name is 3-iodo-2-propoxypyridine.

Molecular Properties

Compound Name3-iodo-2-propoxypyridine
PubChem CID42553132
Molecular FormulaC8H10INO
Molecular Weight263.08 g/mol
Exact Mass262.98
IUPAC Name3-iodo-2-propoxypyridine
SMILESCCCOc1ncccc1I
InChIInChI=1S/C8H10INO/c1-2-6-11-8-7(9)4-3-5-10-8/h3-5H,2,6H2,1H3
InChIKeyWWMBXRKMRZDRFH-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-[(E)-but-2-enoxy]-3-iodopyridine
CID 15274355
3-iodo-2-(2-iodophenoxy)pyridine
CID 11475735
5,7-diiodo-8-propoxyquinoline
CID 100613865
(2-propoxy-3-pyridinyl)-bis[(2-propoxy-3-pyridinyl)oxy]borane
CID 57219365
2,3-didecoxypyridine
CID 151922374
[2-(2-propoxyethoxy)-3-pyridinyl]methanol
CID 63684391
(2-butoxy-3-pyridinyl)boronic acid
CID 56776625
3-propoxypyrazin-2-amine
CID 102987993
3-propoxypyrazine-2-carbothioamide
CID 62683968
2-pentoxypyridine-3-carbaldehyde
CID 11622489
(2-octoxy-3-pyridinyl)boronic acid
CID 57324718
N-methyl-1-(2-pentoxy-3-pyridinyl)methanamine
CID 62292620

Frequently Asked Questions

What is the IUPAC name of 3-iodo-2-propoxypyridine?
The IUPAC name of 3-iodo-2-propoxypyridine (CID 42553132) is 3-iodo-2-propoxypyridine.
What is the SMILES notation for 3-iodo-2-propoxypyridine?
The canonical SMILES for 3-iodo-2-propoxypyridine is CCCOc1ncccc1I.
What is the InChIKey of 3-iodo-2-propoxypyridine?
The InChIKey is WWMBXRKMRZDRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10INO/c1-2-6-11-8-7(9)4-3-5-10-8/h3-5H,2,6H2,1H3.
What are the key properties of 3-iodo-2-propoxypyridine?
3-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 3-iodo-2-propoxypyridine is sourced from PubChem (CID 42553132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).