3-iodo-4-(3-methylbut-3-enoxy)pyridine

C10H12INO — CID 10913227

IUPAC3-iodo-4-(3-methylbut-3-enoxy)pyridine
SMILESC=C(C)CCOc1ccncc1I
InChIInChI=1S/C10H12INO/c1-8(2)4-6-13-10-3-5-12-7-9(10)11/h3,5,7H,1,4,6H2,2H3
InChIKeyPLNWBWKYJWWPGX-UHFFFAOYSA-N
MW289.12 g/mol
LogP3.03
Rot. Bonds4

About 3-iodo-4-(3-methylbut-3-enoxy)pyridine

3-iodo-4-(3-methylbut-3-enoxy)pyridine (PubChem CID 10913227) has the molecular formula C10H12INO and a molecular weight of 289.12 g/mol. Its IUPAC name is 3-iodo-4-(3-methylbut-3-enoxy)pyridine.

Molecular Properties

Compound Name3-iodo-4-(3-methylbut-3-enoxy)pyridine
PubChem CID10913227
Molecular FormulaC10H12INO
Molecular Weight289.12 g/mol
Exact Mass289.00
IUPAC Name3-iodo-4-(3-methylbut-3-enoxy)pyridine
SMILESC=C(C)CCOc1ccncc1I
InChIInChI=1S/C10H12INO/c1-8(2)4-6-13-10-3-5-12-7-9(10)11/h3,5,7H,1,4,6H2,2H3
InChIKeyPLNWBWKYJWWPGX-UHFFFAOYSA-N
XLogP3.03
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.12
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-(3-methylbut-3-enoxy)pyridine?
The IUPAC name of 3-iodo-4-(3-methylbut-3-enoxy)pyridine (CID 10913227) is 3-iodo-4-(3-methylbut-3-enoxy)pyridine.
What is the SMILES notation for 3-iodo-4-(3-methylbut-3-enoxy)pyridine?
The canonical SMILES for 3-iodo-4-(3-methylbut-3-enoxy)pyridine is C=C(C)CCOc1ccncc1I.
What is the InChIKey of 3-iodo-4-(3-methylbut-3-enoxy)pyridine?
The InChIKey is PLNWBWKYJWWPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12INO/c1-8(2)4-6-13-10-3-5-12-7-9(10)11/h3,5,7H,1,4,6H2,2H3.
What are the key properties of 3-iodo-4-(3-methylbut-3-enoxy)pyridine?
3-iodo-4-(3-methylbut-3-enoxy)pyridine has a molecular weight of 289.12 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4-(3-methylbut-3-enoxy)pyridine is sourced from PubChem (CID 10913227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).