5-tert-butyl-2-(3-iodophenoxy)pyridine

C15H16INO — CID 107874372

IUPAC5-tert-butyl-2-(3-iodophenoxy)pyridine
SMILESCC(C)(C)c1ccc(Oc2cccc(I)c2)nc1
InChIInChI=1S/C15H16INO/c1-15(2,3)11-7-8-14(17-10-11)18-13-6-4-5-12(16)9-13/h4-10H,1-3H3
InChIKeyJCJDDWXDBGZZTM-UHFFFAOYSA-N
MW353.20 g/mol
LogP4.78
Rot. Bonds2

About 5-tert-butyl-2-(3-iodophenoxy)pyridine

5-tert-butyl-2-(3-iodophenoxy)pyridine (PubChem CID 107874372) has the molecular formula C15H16INO and a molecular weight of 353.20 g/mol. Its IUPAC name is 5-tert-butyl-2-(3-iodophenoxy)pyridine.

Molecular Properties

Compound Name5-tert-butyl-2-(3-iodophenoxy)pyridine
PubChem CID107874372
Molecular FormulaC15H16INO
Molecular Weight353.20 g/mol
Exact Mass353.03
IUPAC Name5-tert-butyl-2-(3-iodophenoxy)pyridine
SMILESCC(C)(C)c1ccc(Oc2cccc(I)c2)nc1
InChIInChI=1S/C15H16INO/c1-15(2,3)11-7-8-14(17-10-11)18-13-6-4-5-12(16)9-13/h4-10H,1-3H3
InChIKeyJCJDDWXDBGZZTM-UHFFFAOYSA-N
XLogP4.78
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.20
LogP ≤ 54.78
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

Cb-103
CID 2735289
4-(5-Trifluoromethyl-pyridin-2-yloxy)-phenol
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2-Phenoxynicotinonitrile
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4-[2-(4-Methoxy-phenyl)-vinyl]-pyridine
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[2-(4-Fluorophenoxy)pyridin-4-yl]methanamine
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(2-Phenoxypyridin-4-yl)methanamine hydrochloride
CID 122163387
(3-Pyridylmethylene)indane 19a
CID 6539773
3-{[(1Z)-5-ethoxy-2,3-dihydro-1H-inden-1-ylidene]methyl}pyridine
CID 6539774
3-(5-Methoxy-1H-inden-2-yl)pyridine
CID 6540048
2-Phenoxy-3-(piperidin-4-yl)pyridine
CID 44133490
2-(2-Fluorophenoxy)-3-(piperidin-4-yl)pyridine
CID 44133851
Pyridine, 2-(4-ethoxyphenyl)-5-pentyl-
CID 3126242

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(3-iodophenoxy)pyridine?
The IUPAC name of 5-tert-butyl-2-(3-iodophenoxy)pyridine (CID 107874372) is 5-tert-butyl-2-(3-iodophenoxy)pyridine.
What is the SMILES notation for 5-tert-butyl-2-(3-iodophenoxy)pyridine?
The canonical SMILES for 5-tert-butyl-2-(3-iodophenoxy)pyridine is CC(C)(C)c1ccc(Oc2cccc(I)c2)nc1.
What is the InChIKey of 5-tert-butyl-2-(3-iodophenoxy)pyridine?
The InChIKey is JCJDDWXDBGZZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16INO/c1-15(2,3)11-7-8-14(17-10-11)18-13-6-4-5-12(16)9-13/h4-10H,1-3H3.
What are the key properties of 5-tert-butyl-2-(3-iodophenoxy)pyridine?
5-tert-butyl-2-(3-iodophenoxy)pyridine has a molecular weight of 353.20 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(3-iodophenoxy)pyridine is sourced from PubChem (CID 107874372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).