2-(fluoromethyl)-6-iodo-4-(trifluoromethyl)pyridine

C7H4F4IN — CID 130967564

IUPAC2-(fluoromethyl)-6-iodo-4-(trifluoromethyl)pyridine
SMILESFCc1cc(C(F)(F)F)cc(I)n1
InChIInChI=1S/C7H4F4IN/c8-3-5-1-4(7(9,10)11)2-6(12)13-5/h1-2H,3H2
InChIKeyBQIFBKCEGRMMQP-UHFFFAOYSA-N
MW305.01 g/mol
LogP3.17
Rot. Bonds1

About 2-(fluoromethyl)-6-iodo-4-(trifluoromethyl)pyridine

2-(fluoromethyl)-6-iodo-4-(trifluoromethyl)pyridine (PubChem CID 130967564) has the molecular formula C7H4F4IN and a molecular weight of 305.01 g/mol. Its IUPAC name is 2-(fluoromethyl)-6-iodo-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(fluoromethyl)-6-iodo-4-(trifluoromethyl)pyridine
PubChem CID130967564
Molecular FormulaC7H4F4IN
Molecular Weight305.01 g/mol
Exact Mass304.93
IUPAC Name2-(fluoromethyl)-6-iodo-4-(trifluoromethyl)pyridine
SMILESFCc1cc(C(F)(F)F)cc(I)n1
InChIInChI=1S/C7H4F4IN/c8-3-5-1-4(7(9,10)11)2-6(12)13-5/h1-2H,3H2
InChIKeyBQIFBKCEGRMMQP-UHFFFAOYSA-N
XLogP3.17
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.01
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

6-(fluoromethyl)-3-iodo-2-(trifluoromethyl)pyridine
CID 130952875
2-ethyl-4,6-bis(trifluoromethyl)pyridine
CID 133094723
methylidene-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]methyl]-λ3-iodane
CID 163799716
2,4,6-tris(trifluoromethyl)pyridine
CID 14937918
2-[difluoro(phenyl)methyl]-6-(fluoromethyl)pyridine
CID 58106943
[2-iodo-6-(trifluoromethyl)-4-pyridinyl]methanol
CID 130783137
2-[[6-(aminomethyl)-4-(trifluoromethyl)-2-pyridinyl]-methylamino]ethanol
CID 168933738
2-(bromomethyl)-4-fluoro-6-iodopyridine
CID 130894820
2-iodo-6-(trifluoromethyl)pyridin-4-amine
CID 118801119
2-chloro-4-iodo-6-(trifluoromethyl)pyrimidine
CID 119004261
ethyl 2-[4,6-bis(trifluoromethyl)-2-pyridinyl]acetate
CID 171030486
2-(fluoromethyl)-4-iodo-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 134676696

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-6-iodo-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-(fluoromethyl)-6-iodo-4-(trifluoromethyl)pyridine (CID 130967564) is 2-(fluoromethyl)-6-iodo-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(fluoromethyl)-6-iodo-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(fluoromethyl)-6-iodo-4-(trifluoromethyl)pyridine is FCc1cc(C(F)(F)F)cc(I)n1.
What is the InChIKey of 2-(fluoromethyl)-6-iodo-4-(trifluoromethyl)pyridine?
The InChIKey is BQIFBKCEGRMMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F4IN/c8-3-5-1-4(7(9,10)11)2-6(12)13-5/h1-2H,3H2.
What are the key properties of 2-(fluoromethyl)-6-iodo-4-(trifluoromethyl)pyridine?
2-(fluoromethyl)-6-iodo-4-(trifluoromethyl)pyridine has a molecular weight of 305.01 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-6-iodo-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 130967564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).