1-iodo-4-methyl-3,4-dihydro-2H-pyridine

C6H10IN — CID 155135892

IUPAC1-iodo-4-methyl-3,4-dihydro-2H-pyridine
SMILESCC1C=CN(I)CC1
InChIInChI=1S/C6H10IN/c1-6-2-4-8(7)5-3-6/h2,4,6H,3,5H2,1H3
InChIKeyDUHXYKPPSULWCB-UHFFFAOYSA-N
MW223.06 g/mol
LogP2.19
Rot. Bonds

About 1-iodo-4-methyl-3,4-dihydro-2H-pyridine

1-iodo-4-methyl-3,4-dihydro-2H-pyridine (PubChem CID 155135892) has the molecular formula C6H10IN and a molecular weight of 223.06 g/mol. Its IUPAC name is 1-iodo-4-methyl-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-iodo-4-methyl-3,4-dihydro-2H-pyridine
PubChem CID155135892
Molecular FormulaC6H10IN
Molecular Weight223.06 g/mol
Exact Mass222.99
IUPAC Name1-iodo-4-methyl-3,4-dihydro-2H-pyridine
SMILESCC1C=CN(I)CC1
InChIInChI=1S/C6H10IN/c1-6-2-4-8(7)5-3-6/h2,4,6H,3,5H2,1H3
InChIKeyDUHXYKPPSULWCB-UHFFFAOYSA-N
XLogP2.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.06
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-iodo-4-methyl-3,4-dihydro-2H-pyridine?
The IUPAC name of 1-iodo-4-methyl-3,4-dihydro-2H-pyridine (CID 155135892) is 1-iodo-4-methyl-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 1-iodo-4-methyl-3,4-dihydro-2H-pyridine?
The canonical SMILES for 1-iodo-4-methyl-3,4-dihydro-2H-pyridine is CC1C=CN(I)CC1.
What is the InChIKey of 1-iodo-4-methyl-3,4-dihydro-2H-pyridine?
The InChIKey is DUHXYKPPSULWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10IN/c1-6-2-4-8(7)5-3-6/h2,4,6H,3,5H2,1H3.
What are the key properties of 1-iodo-4-methyl-3,4-dihydro-2H-pyridine?
1-iodo-4-methyl-3,4-dihydro-2H-pyridine has a molecular weight of 223.06 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-4-methyl-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 155135892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).