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

C8H5F5INO2 — CID 118840777

IUPAC4-(difluoromethyl)-5-iodo-2-methoxy-3-(trifluoromethoxy)pyridine
SMILESCOc1ncc(I)c(C(F)F)c1OC(F)(F)F
InChIInChI=1S/C8H5F5INO2/c1-16-7-5(17-8(11,12)13)4(6(9)10)3(14)2-15-7/h2,6H,1H3
InChIKeyYZAPEGKWFXKMCK-UHFFFAOYSA-N
MW369.03 g/mol
LogP3.53
Rot. Bonds3

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

4-(difluoromethyl)-5-iodo-2-methoxy-3-(trifluoromethoxy)pyridine (PubChem CID 118840777) has the molecular formula C8H5F5INO2 and a molecular weight of 369.03 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-iodo-2-methoxy-3-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name4-(difluoromethyl)-5-iodo-2-methoxy-3-(trifluoromethoxy)pyridine
PubChem CID118840777
Molecular FormulaC8H5F5INO2
Molecular Weight369.03 g/mol
Exact Mass368.93
IUPAC Name4-(difluoromethyl)-5-iodo-2-methoxy-3-(trifluoromethoxy)pyridine
SMILESCOc1ncc(I)c(C(F)F)c1OC(F)(F)F
InChIInChI=1S/C8H5F5INO2/c1-16-7-5(17-8(11,12)13)4(6(9)10)3(14)2-15-7/h2,6H,1H3
InChIKeyYZAPEGKWFXKMCK-UHFFFAOYSA-N
XLogP3.53
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.03
LogP ≤ 53.53
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

4-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118824021
4-iodo-2-methoxy-3-(trifluoromethoxy)pyridine
CID 118833057
4-(bromomethyl)-5-(difluoromethyl)-2-methoxy-3-(trifluoromethoxy)pyridine
CID 134675551
5-(difluoromethyl)-2-methoxy-4-nitro-3-(trifluoromethoxy)pyridine
CID 134669706
2-(bromomethyl)-3-(difluoromethyl)-5-iodo-4-(trifluoromethoxy)pyridine
CID 134668841
2-(bromomethyl)-4-(difluoromethyl)-5-iodo-3-methoxypyridine
CID 118821401
4-(difluoromethyl)-5-methoxy-3-methyl-2-(trifluoromethoxy)pyridine
CID 134660494
4-(difluoromethyl)-2-fluoro-5-methoxy-3-(trifluoromethoxy)pyridine
CID 118812562
3-(difluoromethyl)-2,5-diiodo-4-methoxypyridine
CID 130100515
4-(difluoromethyl)-2-methoxy-3-methyl-5-(trifluoromethyl)pyridine
CID 118835037
5-iodo-4-methoxy-3-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134680470
5-iodo-3-methoxy-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134666954

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-iodo-2-methoxy-3-(trifluoromethoxy)pyridine?
The IUPAC name of 4-(difluoromethyl)-5-iodo-2-methoxy-3-(trifluoromethoxy)pyridine (CID 118840777) is 4-(difluoromethyl)-5-iodo-2-methoxy-3-(trifluoromethoxy)pyridine.
What is the SMILES notation for 4-(difluoromethyl)-5-iodo-2-methoxy-3-(trifluoromethoxy)pyridine?
The canonical SMILES for 4-(difluoromethyl)-5-iodo-2-methoxy-3-(trifluoromethoxy)pyridine is COc1ncc(I)c(C(F)F)c1OC(F)(F)F.
What is the InChIKey of 4-(difluoromethyl)-5-iodo-2-methoxy-3-(trifluoromethoxy)pyridine?
The InChIKey is YZAPEGKWFXKMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5INO2/c1-16-7-5(17-8(11,12)13)4(6(9)10)3(14)2-15-7/h2,6H,1H3.
What are the key properties of 4-(difluoromethyl)-5-iodo-2-methoxy-3-(trifluoromethoxy)pyridine?
4-(difluoromethyl)-5-iodo-2-methoxy-3-(trifluoromethoxy)pyridine has a molecular weight of 369.03 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-iodo-2-methoxy-3-(trifluoromethoxy)pyridine is sourced from PubChem (CID 118840777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).