5-(difluoromethyl)-4-iodo-2-methyl-3-(trifluoromethoxy)pyridine

C8H5F5INO — CID 130112860

IUPAC5-(difluoromethyl)-4-iodo-2-methyl-3-(trifluoromethoxy)pyridine
SMILESCc1ncc(C(F)F)c(I)c1OC(F)(F)F
InChIInChI=1S/C8H5F5INO/c1-3-6(16-8(11,12)13)5(14)4(2-15-3)7(9)10/h2,7H,1H3
InChIKeyOCOFIACMGVAPIH-UHFFFAOYSA-N
MW353.03 g/mol
LogP3.83
Rot. Bonds2

About 5-(difluoromethyl)-4-iodo-2-methyl-3-(trifluoromethoxy)pyridine

5-(difluoromethyl)-4-iodo-2-methyl-3-(trifluoromethoxy)pyridine (PubChem CID 130112860) has the molecular formula C8H5F5INO and a molecular weight of 353.03 g/mol. Its IUPAC name is 5-(difluoromethyl)-4-iodo-2-methyl-3-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name5-(difluoromethyl)-4-iodo-2-methyl-3-(trifluoromethoxy)pyridine
PubChem CID130112860
Molecular FormulaC8H5F5INO
Molecular Weight353.03 g/mol
Exact Mass352.93
IUPAC Name5-(difluoromethyl)-4-iodo-2-methyl-3-(trifluoromethoxy)pyridine
SMILESCc1ncc(C(F)F)c(I)c1OC(F)(F)F
InChIInChI=1S/C8H5F5INO/c1-3-6(16-8(11,12)13)5(14)4(2-15-3)7(9)10/h2,7H,1H3
InChIKeyOCOFIACMGVAPIH-UHFFFAOYSA-N
XLogP3.83
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.03
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-4-iodo-2-methyl-3-(trifluoromethoxy)pyridine?
The IUPAC name of 5-(difluoromethyl)-4-iodo-2-methyl-3-(trifluoromethoxy)pyridine (CID 130112860) is 5-(difluoromethyl)-4-iodo-2-methyl-3-(trifluoromethoxy)pyridine.
What is the SMILES notation for 5-(difluoromethyl)-4-iodo-2-methyl-3-(trifluoromethoxy)pyridine?
The canonical SMILES for 5-(difluoromethyl)-4-iodo-2-methyl-3-(trifluoromethoxy)pyridine is Cc1ncc(C(F)F)c(I)c1OC(F)(F)F.
What is the InChIKey of 5-(difluoromethyl)-4-iodo-2-methyl-3-(trifluoromethoxy)pyridine?
The InChIKey is OCOFIACMGVAPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5INO/c1-3-6(16-8(11,12)13)5(14)4(2-15-3)7(9)10/h2,7H,1H3.
What are the key properties of 5-(difluoromethyl)-4-iodo-2-methyl-3-(trifluoromethoxy)pyridine?
5-(difluoromethyl)-4-iodo-2-methyl-3-(trifluoromethoxy)pyridine has a molecular weight of 353.03 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-4-iodo-2-methyl-3-(trifluoromethoxy)pyridine is sourced from PubChem (CID 130112860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).