4-iodo-3-methyl-2,3,4,5-tetrahydropyridine

C6H10IN — CID 89271864

IUPAC4-iodo-3-methyl-2,3,4,5-tetrahydropyridine
SMILESCC1CN=CCC1I
InChIInChI=1S/C6H10IN/c1-5-4-8-3-2-6(5)7/h3,5-6H,2,4H2,1H3
InChIKeyINNDCAMVPNMATR-UHFFFAOYSA-N
MW223.06 g/mol
LogP1.90
Rot. Bonds

About 4-iodo-3-methyl-2,3,4,5-tetrahydropyridine

4-iodo-3-methyl-2,3,4,5-tetrahydropyridine (PubChem CID 89271864) has the molecular formula C6H10IN and a molecular weight of 223.06 g/mol. Its IUPAC name is 4-iodo-3-methyl-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name4-iodo-3-methyl-2,3,4,5-tetrahydropyridine
PubChem CID89271864
Molecular FormulaC6H10IN
Molecular Weight223.06 g/mol
Exact Mass222.99
IUPAC Name4-iodo-3-methyl-2,3,4,5-tetrahydropyridine
SMILESCC1CN=CCC1I
InChIInChI=1S/C6H10IN/c1-5-4-8-3-2-6(5)7/h3,5-6H,2,4H2,1H3
InChIKeyINNDCAMVPNMATR-UHFFFAOYSA-N
XLogP1.90
TPSA12.36 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 ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-3-methyl-2,3,4,5-tetrahydropyridine?
The IUPAC name of 4-iodo-3-methyl-2,3,4,5-tetrahydropyridine (CID 89271864) is 4-iodo-3-methyl-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 4-iodo-3-methyl-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 4-iodo-3-methyl-2,3,4,5-tetrahydropyridine is CC1CN=CCC1I.
What is the InChIKey of 4-iodo-3-methyl-2,3,4,5-tetrahydropyridine?
The InChIKey is INNDCAMVPNMATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10IN/c1-5-4-8-3-2-6(5)7/h3,5-6H,2,4H2,1H3.
What are the key properties of 4-iodo-3-methyl-2,3,4,5-tetrahydropyridine?
4-iodo-3-methyl-2,3,4,5-tetrahydropyridine has a molecular weight of 223.06 g/mol, XLogP of 1.90, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-3-methyl-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 89271864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).