2-fluoro-3-iodo-5-[4-(trifluoromethoxy)phenyl]pyridine

C12H6F4INO — CID 133089043

IUPAC2-fluoro-3-iodo-5-[4-(trifluoromethoxy)phenyl]pyridine
SMILESFc1ncc(-c2ccc(OC(F)(F)F)cc2)cc1I
InChIInChI=1S/C12H6F4INO/c13-11-10(17)5-8(6-18-11)7-1-3-9(4-2-7)19-12(14,15)16/h1-6H
InChIKeyXOLFSIMMGLLNFZ-UHFFFAOYSA-N
MW383.08 g/mol
LogP4.39
Rot. Bonds2

About 2-fluoro-3-iodo-5-[4-(trifluoromethoxy)phenyl]pyridine

2-fluoro-3-iodo-5-[4-(trifluoromethoxy)phenyl]pyridine (PubChem CID 133089043) has the molecular formula C12H6F4INO and a molecular weight of 383.08 g/mol. Its IUPAC name is 2-fluoro-3-iodo-5-[4-(trifluoromethoxy)phenyl]pyridine.

Molecular Properties

Compound Name2-fluoro-3-iodo-5-[4-(trifluoromethoxy)phenyl]pyridine
PubChem CID133089043
Molecular FormulaC12H6F4INO
Molecular Weight383.08 g/mol
Exact Mass382.94
IUPAC Name2-fluoro-3-iodo-5-[4-(trifluoromethoxy)phenyl]pyridine
SMILESFc1ncc(-c2ccc(OC(F)(F)F)cc2)cc1I
InChIInChI=1S/C12H6F4INO/c13-11-10(17)5-8(6-18-11)7-1-3-9(4-2-7)19-12(14,15)16/h1-6H
InChIKeyXOLFSIMMGLLNFZ-UHFFFAOYSA-N
XLogP4.39
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.08
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2-fluoro-3-iodo-5-[4-(trifluoromethyl)phenyl]pyridine
CID 133089573
5-[4-(trifluoromethoxy)phenyl]-2,3-bis(trifluoromethyl)pyridine
CID 118991248
1-fluoro-3,5-bis[4-(trifluoromethoxy)phenyl]benzene
CID 164895353
2-fluoro-4,5-bis[4-(trifluoromethoxy)phenyl]pyridine
CID 118829246
2-(2,2-dimethylpropyl)-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 118455092
2-chloro-5-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
CID 53224310
5-iodo-2-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 66297036
2-(chloromethyl)-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 154074447
2-[4-(trifluoromethoxy)phenyl]pyrazine
CID 91219772
4-[4-(trifluoromethoxy)phenyl]pyridazin-1-ium-1-amine iodide
CID 134543762
2-iodo-4-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine
CID 134620511
2-methyl-5-phenylpyridine;2-methyl-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 158386173

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-iodo-5-[4-(trifluoromethoxy)phenyl]pyridine?
The IUPAC name of 2-fluoro-3-iodo-5-[4-(trifluoromethoxy)phenyl]pyridine (CID 133089043) is 2-fluoro-3-iodo-5-[4-(trifluoromethoxy)phenyl]pyridine.
What is the SMILES notation for 2-fluoro-3-iodo-5-[4-(trifluoromethoxy)phenyl]pyridine?
The canonical SMILES for 2-fluoro-3-iodo-5-[4-(trifluoromethoxy)phenyl]pyridine is Fc1ncc(-c2ccc(OC(F)(F)F)cc2)cc1I.
What is the InChIKey of 2-fluoro-3-iodo-5-[4-(trifluoromethoxy)phenyl]pyridine?
The InChIKey is XOLFSIMMGLLNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F4INO/c13-11-10(17)5-8(6-18-11)7-1-3-9(4-2-7)19-12(14,15)16/h1-6H.
What are the key properties of 2-fluoro-3-iodo-5-[4-(trifluoromethoxy)phenyl]pyridine?
2-fluoro-3-iodo-5-[4-(trifluoromethoxy)phenyl]pyridine has a molecular weight of 383.08 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-iodo-5-[4-(trifluoromethoxy)phenyl]pyridine is sourced from PubChem (CID 133089043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).