3-(difluoromethyl)-4-iodo-2-methoxy-6-(trifluoromethyl)pyridine

C8H5F5INO — CID 130085659

IUPAC3-(difluoromethyl)-4-iodo-2-methoxy-6-(trifluoromethyl)pyridine
SMILESCOc1nc(C(F)(F)F)cc(I)c1C(F)F
InChIInChI=1S/C8H5F5INO/c1-16-7-5(6(9)10)3(14)2-4(15-7)8(11,12)13/h2,6H,1H3
InChIKeyVFJXOOCGNMRAPU-UHFFFAOYSA-N
MW353.03 g/mol
LogP3.65
Rot. Bonds2

About 3-(difluoromethyl)-4-iodo-2-methoxy-6-(trifluoromethyl)pyridine

3-(difluoromethyl)-4-iodo-2-methoxy-6-(trifluoromethyl)pyridine (PubChem CID 130085659) has the molecular formula C8H5F5INO and a molecular weight of 353.03 g/mol. Its IUPAC name is 3-(difluoromethyl)-4-iodo-2-methoxy-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-(difluoromethyl)-4-iodo-2-methoxy-6-(trifluoromethyl)pyridine
PubChem CID130085659
Molecular FormulaC8H5F5INO
Molecular Weight353.03 g/mol
Exact Mass352.93
IUPAC Name3-(difluoromethyl)-4-iodo-2-methoxy-6-(trifluoromethyl)pyridine
SMILESCOc1nc(C(F)(F)F)cc(I)c1C(F)F
InChIInChI=1S/C8H5F5INO/c1-16-7-5(6(9)10)3(14)2-4(15-7)8(11,12)13/h2,6H,1H3
InChIKeyVFJXOOCGNMRAPU-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
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-(difluoromethyl)-2-methoxy-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 134665221
2-(difluoromethyl)-4-iodo-3-methoxy-6-(trifluoromethyl)pyridine
CID 118809295
4-(difluoromethyl)-2-methoxy-6-(trifluoromethyl)pyridin-3-ol
CID 118812322
4-chloro-3-(difluoromethyl)-6-iodo-2-methoxypyridine
CID 118805504
2-(difluoromethyl)-4-iodo-6-(trifluoromethyl)pyridin-3-amine
CID 130105387
2-(difluoromethyl)-4-methoxy-6-(trifluoromethyl)pyridin-3-amine
CID 130106010
2-(difluoromethyl)-4-iodo-6-(trifluoromethyl)pyridin-3-ol
CID 118831592
3-(difluoromethyl)-4-iodo-6-methyl-2-(trifluoromethyl)pyridine
CID 130086110
4-(bromomethyl)-3-(difluoromethyl)-6-iodo-2-methoxypyridine
CID 130085591
5-bromo-2-(difluoromethyl)-3-iodo-6-methoxypyridine
CID 130110747
4-(difluoromethyl)-5-iodo-2-methoxy-3-(trifluoromethoxy)pyridine
CID 118840777
4-(bromomethyl)-2-(difluoromethyl)-3-methoxy-6-(trifluoromethyl)pyridine
CID 118801682

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4-iodo-2-methoxy-6-(trifluoromethyl)pyridine?
The IUPAC name of 3-(difluoromethyl)-4-iodo-2-methoxy-6-(trifluoromethyl)pyridine (CID 130085659) is 3-(difluoromethyl)-4-iodo-2-methoxy-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-(difluoromethyl)-4-iodo-2-methoxy-6-(trifluoromethyl)pyridine?
The canonical SMILES for 3-(difluoromethyl)-4-iodo-2-methoxy-6-(trifluoromethyl)pyridine is COc1nc(C(F)(F)F)cc(I)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-4-iodo-2-methoxy-6-(trifluoromethyl)pyridine?
The InChIKey is VFJXOOCGNMRAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5INO/c1-16-7-5(6(9)10)3(14)2-4(15-7)8(11,12)13/h2,6H,1H3.
What are the key properties of 3-(difluoromethyl)-4-iodo-2-methoxy-6-(trifluoromethyl)pyridine?
3-(difluoromethyl)-4-iodo-2-methoxy-6-(trifluoromethyl)pyridine has a molecular weight of 353.03 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-4-iodo-2-methoxy-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 130085659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).