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

C13H6F6INO — CID 134620511

IUPAC2-iodo-4-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine
SMILESFC(F)(F)Oc1ccc(-c2cc(I)nc(C(F)(F)F)c2)cc1
InChIInChI=1S/C13H6F6INO/c14-12(15,16)10-5-8(6-11(20)21-10)7-1-3-9(4-2-7)22-13(17,18)19/h1-6H
InChIKeyXHXNWCISTPAGGX-UHFFFAOYSA-N
MW433.09 g/mol
LogP5.27
Rot. Bonds2

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

2-iodo-4-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine (PubChem CID 134620511) has the molecular formula C13H6F6INO and a molecular weight of 433.09 g/mol. Its IUPAC name is 2-iodo-4-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-iodo-4-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine
PubChem CID134620511
Molecular FormulaC13H6F6INO
Molecular Weight433.09 g/mol
Exact Mass432.94
IUPAC Name2-iodo-4-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine
SMILESFC(F)(F)Oc1ccc(-c2cc(I)nc(C(F)(F)F)c2)cc1
InChIInChI=1S/C13H6F6INO/c14-12(15,16)10-5-8(6-11(20)21-10)7-1-3-9(4-2-7)22-13(17,18)19/h1-6H
InChIKeyXHXNWCISTPAGGX-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-iodo-2-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine
CID 118799175
4-[4-[2,6-bis(trifluoromethyl)-4-pyridinyl]phenyl]-2,6-bis(trifluoromethyl)pyridine
CID 132551111
2,6-bis[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)pyridine
CID 134618302
1-fluoro-3,5-bis[4-(trifluoromethoxy)phenyl]benzene
CID 164895353
4-(4-methylphenyl)-2,6-bis(trifluoromethyl)pyridine
CID 102408426
2-fluoro-3-iodo-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 133089043
2-[4-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]phenyl]-4,5,6-triphenylpyrimidine
CID 155140916
4-[2,6-bis(trifluoromethyl)-4-pyridinyl]-N,N-bis[4-[2,6-bis(trifluoromethyl)-4-pyridinyl]phenyl]aniline
CID 132551108
1-methoxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]benzene
CID 59726185
3-iodo-5-[4-(trifluoromethoxy)phenyl]-1,2,4-thiadiazole
CID 102943740
2-iodo-6-(trifluoromethyl)pyridin-4-amine
CID 118801119
3-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzaldehyde
CID 118811729

Frequently Asked Questions

What is the IUPAC name of 2-iodo-4-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-iodo-4-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine (CID 134620511) is 2-iodo-4-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-iodo-4-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-iodo-4-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine is FC(F)(F)Oc1ccc(-c2cc(I)nc(C(F)(F)F)c2)cc1.
What is the InChIKey of 2-iodo-4-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine?
The InChIKey is XHXNWCISTPAGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F6INO/c14-12(15,16)10-5-8(6-11(20)21-10)7-1-3-9(4-2-7)22-13(17,18)19/h1-6H.
What are the key properties of 2-iodo-4-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine?
2-iodo-4-[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 2-iodo-4-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 134620511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).