3-iodo-2-methyl-6-(1-methylpyrrolidin-3-yl)pyridine

C11H15IN2 — CID 170207510

IUPAC3-iodo-2-methyl-6-(1-methylpyrrolidin-3-yl)pyridine
SMILESCc1nc(C2CCN(C)C2)ccc1I
InChIInChI=1S/C11H15IN2/c1-8-10(12)3-4-11(13-8)9-5-6-14(2)7-9/h3-4,9H,5-7H2,1-2H3
InChIKeyFDMXGAQNXBSJQU-UHFFFAOYSA-N
MW302.16 g/mol
LogP2.41
Rot. Bonds1

About 3-iodo-2-methyl-6-(1-methylpyrrolidin-3-yl)pyridine

3-iodo-2-methyl-6-(1-methylpyrrolidin-3-yl)pyridine (PubChem CID 170207510) has the molecular formula C11H15IN2 and a molecular weight of 302.16 g/mol. Its IUPAC name is 3-iodo-2-methyl-6-(1-methylpyrrolidin-3-yl)pyridine.

Molecular Properties

Compound Name3-iodo-2-methyl-6-(1-methylpyrrolidin-3-yl)pyridine
PubChem CID170207510
Molecular FormulaC11H15IN2
Molecular Weight302.16 g/mol
Exact Mass302.03
IUPAC Name3-iodo-2-methyl-6-(1-methylpyrrolidin-3-yl)pyridine
SMILESCc1nc(C2CCN(C)C2)ccc1I
InChIInChI=1S/C11H15IN2/c1-8-10(12)3-4-11(13-8)9-5-6-14(2)7-9/h3-4,9H,5-7H2,1-2H3
InChIKeyFDMXGAQNXBSJQU-UHFFFAOYSA-N
XLogP2.41
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 52.41
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 3-iodo-2-methyl-6-(1-methylpyrrolidin-3-yl)pyridine?
The IUPAC name of 3-iodo-2-methyl-6-(1-methylpyrrolidin-3-yl)pyridine (CID 170207510) is 3-iodo-2-methyl-6-(1-methylpyrrolidin-3-yl)pyridine.
What is the SMILES notation for 3-iodo-2-methyl-6-(1-methylpyrrolidin-3-yl)pyridine?
The canonical SMILES for 3-iodo-2-methyl-6-(1-methylpyrrolidin-3-yl)pyridine is Cc1nc(C2CCN(C)C2)ccc1I.
What is the InChIKey of 3-iodo-2-methyl-6-(1-methylpyrrolidin-3-yl)pyridine?
The InChIKey is FDMXGAQNXBSJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2/c1-8-10(12)3-4-11(13-8)9-5-6-14(2)7-9/h3-4,9H,5-7H2,1-2H3.
What are the key properties of 3-iodo-2-methyl-6-(1-methylpyrrolidin-3-yl)pyridine?
3-iodo-2-methyl-6-(1-methylpyrrolidin-3-yl)pyridine has a molecular weight of 302.16 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-2-methyl-6-(1-methylpyrrolidin-3-yl)pyridine is sourced from PubChem (CID 170207510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).