3-iodo-5-[3-(trifluoromethoxy)phenyl]pyridine

C12H7F3INO — CID 134626972

IUPAC3-iodo-5-[3-(trifluoromethoxy)phenyl]pyridine
SMILESFC(F)(F)Oc1cccc(-c2cncc(I)c2)c1
InChIInChI=1S/C12H7F3INO/c13-12(14,15)18-11-3-1-2-8(5-11)9-4-10(16)7-17-6-9/h1-7H
InChIKeyKIBWDUAPSOWOKL-UHFFFAOYSA-N
MW365.09 g/mol
LogP4.25
Rot. Bonds2

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

3-iodo-5-[3-(trifluoromethoxy)phenyl]pyridine (PubChem CID 134626972) has the molecular formula C12H7F3INO and a molecular weight of 365.09 g/mol. Its IUPAC name is 3-iodo-5-[3-(trifluoromethoxy)phenyl]pyridine.

Molecular Properties

Compound Name3-iodo-5-[3-(trifluoromethoxy)phenyl]pyridine
PubChem CID134626972
Molecular FormulaC12H7F3INO
Molecular Weight365.09 g/mol
Exact Mass364.95
IUPAC Name3-iodo-5-[3-(trifluoromethoxy)phenyl]pyridine
SMILESFC(F)(F)Oc1cccc(-c2cncc(I)c2)c1
InChIInChI=1S/C12H7F3INO/c13-12(14,15)18-11-3-1-2-8(5-11)9-4-10(16)7-17-6-9/h1-7H
InChIKeyKIBWDUAPSOWOKL-UHFFFAOYSA-N
XLogP4.25
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.09
LogP ≤ 54.25
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

3,5-bis[3-(trifluoromethoxy)phenyl]pyridine
CID 134623402
3-fluoro-5-[3-(trifluoromethoxy)phenyl]pyridine
CID 133089266
3-bromo-5-[3-(trifluoromethoxy)phenyl]pyridine
CID 52937146
4-[3-(trifluoromethoxy)phenyl]pyridine
CID 46317167
2-fluoro-5-iodo-3-[3-(trifluoromethoxy)phenyl]pyridine
CID 133089048
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
2-phenyl-2-[[5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]amino]ethanol
CID 123630878
2-bromo-6-[3-(trifluoromethoxy)phenyl]pyrazine
CID 166176460
5-[3-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)pyridine
CID 134628617
3,4-bis[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyridine
CID 134622968
3-iodo-6-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine
CID 164888690
5-iodo-2-[3-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 107105178

Frequently Asked Questions

What is the IUPAC name of 3-iodo-5-[3-(trifluoromethoxy)phenyl]pyridine?
The IUPAC name of 3-iodo-5-[3-(trifluoromethoxy)phenyl]pyridine (CID 134626972) is 3-iodo-5-[3-(trifluoromethoxy)phenyl]pyridine.
What is the SMILES notation for 3-iodo-5-[3-(trifluoromethoxy)phenyl]pyridine?
The canonical SMILES for 3-iodo-5-[3-(trifluoromethoxy)phenyl]pyridine is FC(F)(F)Oc1cccc(-c2cncc(I)c2)c1.
What is the InChIKey of 3-iodo-5-[3-(trifluoromethoxy)phenyl]pyridine?
The InChIKey is KIBWDUAPSOWOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3INO/c13-12(14,15)18-11-3-1-2-8(5-11)9-4-10(16)7-17-6-9/h1-7H.
What are the key properties of 3-iodo-5-[3-(trifluoromethoxy)phenyl]pyridine?
3-iodo-5-[3-(trifluoromethoxy)phenyl]pyridine has a molecular weight of 365.09 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-5-[3-(trifluoromethoxy)phenyl]pyridine is sourced from PubChem (CID 134626972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).