(4-methoxyphenyl)-pyridin-3-yliodanium

C12H11INO+ — CID 24871781

IUPAC(4-methoxyphenyl)-pyridin-3-yliodanium
SMILESCOc1ccc([I+]c2cccnc2)cc1
InChIInChI=1S/C12H11INO/c1-15-12-6-4-10(5-7-12)13-11-3-2-8-14-9-11/h2-9H,1H3/q+1
InChIKeyUAOVDTCNQHBPRS-UHFFFAOYSA-N
MW312.13 g/mol
LogP-0.78
Rot. Bonds3

About (4-methoxyphenyl)-pyridin-3-yliodanium

(4-methoxyphenyl)-pyridin-3-yliodanium (PubChem CID 24871781) has the molecular formula C12H11INO+ and a molecular weight of 312.13 g/mol. Its IUPAC name is (4-methoxyphenyl)-pyridin-3-yliodanium.

Molecular Properties

Compound Name(4-methoxyphenyl)-pyridin-3-yliodanium
PubChem CID24871781
Molecular FormulaC12H11INO+
Molecular Weight312.13 g/mol
Exact Mass311.99
IUPAC Name(4-methoxyphenyl)-pyridin-3-yliodanium
SMILESCOc1ccc([I+]c2cccnc2)cc1
InChIInChI=1S/C12H11INO/c1-15-12-6-4-10(5-7-12)13-11-3-2-8-14-9-11/h2-9H,1H3/q+1
InChIKeyUAOVDTCNQHBPRS-UHFFFAOYSA-N
XLogP-0.78
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.13
LogP ≤ 5-0.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-pyridin-3-yliodanium?
The IUPAC name of (4-methoxyphenyl)-pyridin-3-yliodanium (CID 24871781) is (4-methoxyphenyl)-pyridin-3-yliodanium.
What is the SMILES notation for (4-methoxyphenyl)-pyridin-3-yliodanium?
The canonical SMILES for (4-methoxyphenyl)-pyridin-3-yliodanium is COc1ccc([I+]c2cccnc2)cc1.
What is the InChIKey of (4-methoxyphenyl)-pyridin-3-yliodanium?
The InChIKey is UAOVDTCNQHBPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11INO/c1-15-12-6-4-10(5-7-12)13-11-3-2-8-14-9-11/h2-9H,1H3/q+1.
What are the key properties of (4-methoxyphenyl)-pyridin-3-yliodanium?
(4-methoxyphenyl)-pyridin-3-yliodanium has a molecular weight of 312.13 g/mol, XLogP of -0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-pyridin-3-yliodanium is sourced from PubChem (CID 24871781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).