3-ethyl-2-(iodomethyl)pyridine

C8H10IN — CID 166542162

IUPAC3-ethyl-2-(iodomethyl)pyridine
SMILESCCc1cccnc1CI
InChIInChI=1S/C8H10IN/c1-2-7-4-3-5-10-8(7)6-9/h3-5H,2,6H2,1H3
InChIKeyFTBXHBJIACMCPI-UHFFFAOYSA-N
MW247.08 g/mol
LogP2.58
Rot. Bonds2

About 3-ethyl-2-(iodomethyl)pyridine

3-ethyl-2-(iodomethyl)pyridine (PubChem CID 166542162) has the molecular formula C8H10IN and a molecular weight of 247.08 g/mol. Its IUPAC name is 3-ethyl-2-(iodomethyl)pyridine.

Molecular Properties

Compound Name3-ethyl-2-(iodomethyl)pyridine
PubChem CID166542162
Molecular FormulaC8H10IN
Molecular Weight247.08 g/mol
Exact Mass246.99
IUPAC Name3-ethyl-2-(iodomethyl)pyridine
SMILESCCc1cccnc1CI
InChIInChI=1S/C8H10IN/c1-2-7-4-3-5-10-8(7)6-9/h3-5H,2,6H2,1H3
InChIKeyFTBXHBJIACMCPI-UHFFFAOYSA-N
XLogP2.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.08
LogP ≤ 52.58
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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Related Compounds

2,3-diethylpyridine
CID 14747123
3-(chloromethyl)-2-ethylpyridine;hydrochloride
CID 142546922
2-dodecyl-3-ethylpyridine
CID 160514040
2-ethyl-3-(iodomethyl)pyrazine
CID 166788524
4-[(3-ethyl-2-pyridinyl)methyl]piperazine-2,6-dione
CID 82754494
2-[(3-ethyl-2-pyridinyl)methylamino]ethanol
CID 82738095
ethane;3-ethyl-2-methylpyridine
CID 143071594
2,3-diethylpyridine;bis(2,4,6-trimethylaniline)
CID 157436995
2,3-dipropylpyridine
CID 19593488
2-ethyl-3-(2,2,2-trifluoroethyl)pyridine
CID 177328256
2-[(3-ethyl-2-pyridinyl)methylamino]-2-phenylacetic acid
CID 103261743
1-(5-bromofuran-2-yl)-N-[(3-ethyl-2-pyridinyl)methyl]methanamine
CID 82732596

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(iodomethyl)pyridine?
The IUPAC name of 3-ethyl-2-(iodomethyl)pyridine (CID 166542162) is 3-ethyl-2-(iodomethyl)pyridine.
What is the SMILES notation for 3-ethyl-2-(iodomethyl)pyridine?
The canonical SMILES for 3-ethyl-2-(iodomethyl)pyridine is CCc1cccnc1CI.
What is the InChIKey of 3-ethyl-2-(iodomethyl)pyridine?
The InChIKey is FTBXHBJIACMCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10IN/c1-2-7-4-3-5-10-8(7)6-9/h3-5H,2,6H2,1H3.
What are the key properties of 3-ethyl-2-(iodomethyl)pyridine?
3-ethyl-2-(iodomethyl)pyridine has a molecular weight of 247.08 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(iodomethyl)pyridine is sourced from PubChem (CID 166542162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).