1-ethyl-3-iodo-5-methyl-2-methylidenepyridine

C9H12IN — CID 147960301

IUPAC1-ethyl-3-iodo-5-methyl-2-methylidenepyridine
SMILESC=C1C(I)=CC(C)=CN1CC
InChIInChI=1S/C9H12IN/c1-4-11-6-7(2)5-9(10)8(11)3/h5-6H,3-4H2,1-2H3
InChIKeyVVIWALLTNBUOHU-UHFFFAOYSA-N
MW261.11 g/mol
LogP3.06
Rot. Bonds1

About 1-ethyl-3-iodo-5-methyl-2-methylidenepyridine

1-ethyl-3-iodo-5-methyl-2-methylidenepyridine (PubChem CID 147960301) has the molecular formula C9H12IN and a molecular weight of 261.11 g/mol. Its IUPAC name is 1-ethyl-3-iodo-5-methyl-2-methylidenepyridine.

Molecular Properties

Compound Name1-ethyl-3-iodo-5-methyl-2-methylidenepyridine
PubChem CID147960301
Molecular FormulaC9H12IN
Molecular Weight261.11 g/mol
Exact Mass261.00
IUPAC Name1-ethyl-3-iodo-5-methyl-2-methylidenepyridine
SMILESC=C1C(I)=CC(C)=CN1CC
InChIInChI=1S/C9H12IN/c1-4-11-6-7(2)5-9(10)8(11)3/h5-6H,3-4H2,1-2H3
InChIKeyVVIWALLTNBUOHU-UHFFFAOYSA-N
XLogP3.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.11
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-iodo-1,4-dimethyl-6-(trifluoromethyl)-2H-pyridine
CID 140105977
1-fluoro-1,4,6-trimethyl-2H-pyridin-1-ium
CID 141175474
2-fluoro-1,4,6-trimethyl-2H-pyridine
CID 150620231
5-iodo-3-methyl-6-methylidene-1-(2,2,2-trifluoroethyl)-2H-pyridin-2-ide;yttrium
CID 161722365
(2Z)-1-ethyl-2-ethylidene-3-[fluoro(diiodo)methyl]pyridine
CID 174261076
2-(Cyclopenta-2,4-dien-1-ylidene)-1-methyl-1,2-dihydropyridine
CID 13860310
4-fluoro-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine
CID 144782670
3-Fluoro-5-methyl-2-methylidene-1-propylpyridine
CID 148339963
1-(2,2-Difluoroethyl)-3-fluoro-5-methyl-2-methylidenepyridine
CID 148369973
3-Fluoro-1,5-dimethyl-2-methylidenepyridine
CID 148998664
1-(2,2-Difluoroethyl)-3-iodo-5-methyl-2-methylidenepyridine
CID 157859536
1-Ethyl-3-fluoro-5-methyl-2-methylidenepyridine
CID 158672040

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-iodo-5-methyl-2-methylidenepyridine?
The IUPAC name of 1-ethyl-3-iodo-5-methyl-2-methylidenepyridine (CID 147960301) is 1-ethyl-3-iodo-5-methyl-2-methylidenepyridine.
What is the SMILES notation for 1-ethyl-3-iodo-5-methyl-2-methylidenepyridine?
The canonical SMILES for 1-ethyl-3-iodo-5-methyl-2-methylidenepyridine is C=C1C(I)=CC(C)=CN1CC.
What is the InChIKey of 1-ethyl-3-iodo-5-methyl-2-methylidenepyridine?
The InChIKey is VVIWALLTNBUOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12IN/c1-4-11-6-7(2)5-9(10)8(11)3/h5-6H,3-4H2,1-2H3.
What are the key properties of 1-ethyl-3-iodo-5-methyl-2-methylidenepyridine?
1-ethyl-3-iodo-5-methyl-2-methylidenepyridine has a molecular weight of 261.11 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-iodo-5-methyl-2-methylidenepyridine is sourced from PubChem (CID 147960301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).