5-(1-iodoethyl)-2-(trifluoromethyl)pyridine

C8H7F3IN — CID 142294771

IUPAC5-(1-iodoethyl)-2-(trifluoromethyl)pyridine
SMILESCC(I)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C8H7F3IN/c1-5(12)6-2-3-7(13-4-6)8(9,10)11/h2-5H,1H3
InChIKeyMWRVQQLYXGIHOS-UHFFFAOYSA-N
MW301.05 g/mol
LogP3.60
Rot. Bonds1

About 5-(1-iodoethyl)-2-(trifluoromethyl)pyridine

5-(1-iodoethyl)-2-(trifluoromethyl)pyridine (PubChem CID 142294771) has the molecular formula C8H7F3IN and a molecular weight of 301.05 g/mol. Its IUPAC name is 5-(1-iodoethyl)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-(1-iodoethyl)-2-(trifluoromethyl)pyridine
PubChem CID142294771
Molecular FormulaC8H7F3IN
Molecular Weight301.05 g/mol
Exact Mass300.96
IUPAC Name5-(1-iodoethyl)-2-(trifluoromethyl)pyridine
SMILESCC(I)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C8H7F3IN/c1-5(12)6-2-3-7(13-4-6)8(9,10)11/h2-5H,1H3
InChIKeyMWRVQQLYXGIHOS-UHFFFAOYSA-N
XLogP3.60
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.05
LogP ≤ 53.60
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

[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]azanium
CID 164715814
5-[(2S)-butan-2-yl]-2-(trifluoromethyl)pyridine
CID 66695263
2-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]propanedial
CID 166650530
1-[6-(trifluoromethyl)-3-pyridinyl]ethylhydrazine;hydrochloride
CID 137356558
5-(1-sulfinylpropan-2-yl)-2-(trifluoromethyl)pyridine
CID 87392243
N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide
CID 68813957
N-[1-(4-iodophenyl)ethyl]-6-(trifluoromethyl)pyridin-3-amine
CID 82812139
5-(1-phenylpropyl)-2-(trifluoromethyl)pyridine
CID 142219929
5-(1-chloroethyl)-2-[difluoro(iodo)methyl]pyridine
CID 89289651
2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-propan-2-ylpyridine
CID 135234346
(1S)-1-[6-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-amine
CID 130664334
3-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol;ethane
CID 145489922

Frequently Asked Questions

What is the IUPAC name of 5-(1-iodoethyl)-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-(1-iodoethyl)-2-(trifluoromethyl)pyridine (CID 142294771) is 5-(1-iodoethyl)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-(1-iodoethyl)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-(1-iodoethyl)-2-(trifluoromethyl)pyridine is CC(I)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 5-(1-iodoethyl)-2-(trifluoromethyl)pyridine?
The InChIKey is MWRVQQLYXGIHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3IN/c1-5(12)6-2-3-7(13-4-6)8(9,10)11/h2-5H,1H3.
What are the key properties of 5-(1-iodoethyl)-2-(trifluoromethyl)pyridine?
5-(1-iodoethyl)-2-(trifluoromethyl)pyridine has a molecular weight of 301.05 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-iodoethyl)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 142294771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).