4-iodo-2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyridine

C13H9F3INO2 — CID 146264485

IUPAC4-iodo-2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyridine
SMILESCc1ccc(Oc2cc(I)ccn2)cc1OC(F)(F)F
InChIInChI=1S/C13H9F3INO2/c1-8-2-3-10(7-11(8)20-13(14,15)16)19-12-6-9(17)4-5-18-12/h2-7H,1H3
InChIKeyRRCNZLOZPRUEJV-UHFFFAOYSA-N
MW395.12 g/mol
LogP4.69
Rot. Bonds3

About 4-iodo-2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyridine

4-iodo-2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyridine (PubChem CID 146264485) has the molecular formula C13H9F3INO2 and a molecular weight of 395.12 g/mol. Its IUPAC name is 4-iodo-2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyridine.

Molecular Properties

Compound Name4-iodo-2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyridine
PubChem CID146264485
Molecular FormulaC13H9F3INO2
Molecular Weight395.12 g/mol
Exact Mass394.96
IUPAC Name4-iodo-2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyridine
SMILESCc1ccc(Oc2cc(I)ccn2)cc1OC(F)(F)F
InChIInChI=1S/C13H9F3INO2/c1-8-2-3-10(7-11(8)20-13(14,15)16)19-12-6-9(17)4-5-18-12/h2-7H,1H3
InChIKeyRRCNZLOZPRUEJV-UHFFFAOYSA-N
XLogP4.69
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.12
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxy-4-methylphenoxy)pyridine
CID 118928199
1-iodo-4-methoxy-2-(trifluoromethoxy)benzene
CID 53415973
[(2R)-1-[[6-[4-methyl-3-(trifluoromethoxy)phenoxy]-3-pyridinyl]amino]-1-oxobutan-2-yl] carbamate
CID 123754892
2-(4-bromo-3-methylphenoxy)-4-(trifluoromethyl)pyridine
CID 83133978
5,5-dimethyl-3-[4-[4-methyl-3-(trifluoromethoxy)phenoxy]phenyl]imidazolidine-2,4-dione
CID 146563952
4-tert-butyl-1-methyl-2-(trifluoromethoxy)benzene
CID 90224248
2-iodo-1-methyl-4-(trifluoromethoxy)benzene
CID 146710880
1,4-diiodo-2-(trifluoromethoxy)benzene
CID 146764437
[(2R)-5,5-dimethyl-1-[[6-[4-methyl-3-(trifluoromethoxy)phenoxy]-3-pyridinyl]amino]-1-oxohexan-2-yl] carbamate
CID 152744005
4-iodo-1-methoxy-2-(trifluoromethoxy)benzene
CID 68685486
4-bromo-1-methyl-2-(trifluoromethoxy)benzene;ethane
CID 143646711
1-methyl-4-methylsulfanyl-2-(trifluoromethoxy)benzene
CID 170999451

Frequently Asked Questions

What is the IUPAC name of 4-iodo-2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyridine?
The IUPAC name of 4-iodo-2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyridine (CID 146264485) is 4-iodo-2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyridine.
What is the SMILES notation for 4-iodo-2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyridine?
The canonical SMILES for 4-iodo-2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyridine is Cc1ccc(Oc2cc(I)ccn2)cc1OC(F)(F)F.
What is the InChIKey of 4-iodo-2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyridine?
The InChIKey is RRCNZLOZPRUEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3INO2/c1-8-2-3-10(7-11(8)20-13(14,15)16)19-12-6-9(17)4-5-18-12/h2-7H,1H3.
What are the key properties of 4-iodo-2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyridine?
4-iodo-2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyridine has a molecular weight of 395.12 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyridine is sourced from PubChem (CID 146264485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).