4-iodo-2-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine

C13H6F6INO — CID 118799175

IUPAC4-iodo-2-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine
SMILESFC(F)(F)Oc1ccc(-c2cc(I)cc(C(F)(F)F)n2)cc1
InChIInChI=1S/C13H6F6INO/c14-12(15,16)11-6-8(20)5-10(21-11)7-1-3-9(4-2-7)22-13(17,18)19/h1-6H
InChIKeyTXMJJRGHVKZYQB-UHFFFAOYSA-N
MW433.09 g/mol
LogP5.27
Rot. Bonds2

About 4-iodo-2-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine

4-iodo-2-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine (PubChem CID 118799175) has the molecular formula C13H6F6INO and a molecular weight of 433.09 g/mol. Its IUPAC name is 4-iodo-2-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-iodo-2-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine
PubChem CID118799175
Molecular FormulaC13H6F6INO
Molecular Weight433.09 g/mol
Exact Mass432.94
IUPAC Name4-iodo-2-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine
SMILESFC(F)(F)Oc1ccc(-c2cc(I)cc(C(F)(F)F)n2)cc1
InChIInChI=1S/C13H6F6INO/c14-12(15,16)11-6-8(20)5-10(21-11)7-1-3-9(4-2-7)22-13(17,18)19/h1-6H
InChIKeyTXMJJRGHVKZYQB-UHFFFAOYSA-N
XLogP5.27
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.09
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-4-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine
CID 134620511
2,6-bis[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)pyridine
CID 134618302
methyl 2,6-bis[4-(trifluoromethoxy)phenyl]pyridine-4-carboxylate
CID 134634051
4-piperidin-1-yl-2,6-bis[4-(trifluoromethoxy)phenyl]pyridine
CID 11634401
3-chloro-6-[4-(trifluoromethoxy)phenyl]pyridazine
CID 43583892
[2-[3-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-4-pyridinyl]boronic acid
CID 87406203
2,6-diphenyl-N-[4-(trifluoromethoxy)phenyl]pyridin-4-amine
CID 11531564
4,6-bis(4-fluorophenyl)-2-[3-(trifluoromethoxy)phenyl]pyrimidine
CID 90750927
3-iodo-5-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole
CID 102943740
2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole
CID 59726235
2-[3-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 134622062
2-fluoro-3-iodo-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 133089043

Frequently Asked Questions

What is the IUPAC name of 4-iodo-2-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine?
The IUPAC name of 4-iodo-2-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine (CID 118799175) is 4-iodo-2-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-iodo-2-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine?
The canonical SMILES for 4-iodo-2-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine is FC(F)(F)Oc1ccc(-c2cc(I)cc(C(F)(F)F)n2)cc1.
What is the InChIKey of 4-iodo-2-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine?
The InChIKey is TXMJJRGHVKZYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F6INO/c14-12(15,16)11-6-8(20)5-10(21-11)7-1-3-9(4-2-7)22-13(17,18)19/h1-6H.
What are the key properties of 4-iodo-2-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine?
4-iodo-2-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine has a molecular weight of 433.09 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 118799175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).