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

C8H5F5INO2 — CID 118823728

IUPAC4-(difluoromethyl)-2-iodo-3-methoxy-6-(trifluoromethoxy)pyridine
SMILESCOc1c(C(F)F)cc(OC(F)(F)F)nc1I
InChIInChI=1S/C8H5F5INO2/c1-16-5-3(6(9)10)2-4(15-7(5)14)17-8(11,12)13/h2,6H,1H3
InChIKeyIEOQCLBJFBWBBM-UHFFFAOYSA-N
MW369.03 g/mol
LogP3.53
Rot. Bonds3

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

4-(difluoromethyl)-2-iodo-3-methoxy-6-(trifluoromethoxy)pyridine (PubChem CID 118823728) has the molecular formula C8H5F5INO2 and a molecular weight of 369.03 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-iodo-3-methoxy-6-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name4-(difluoromethyl)-2-iodo-3-methoxy-6-(trifluoromethoxy)pyridine
PubChem CID118823728
Molecular FormulaC8H5F5INO2
Molecular Weight369.03 g/mol
Exact Mass368.93
IUPAC Name4-(difluoromethyl)-2-iodo-3-methoxy-6-(trifluoromethoxy)pyridine
SMILESCOc1c(C(F)F)cc(OC(F)(F)F)nc1I
InChIInChI=1S/C8H5F5INO2/c1-16-5-3(6(9)10)2-4(15-7(5)14)17-8(11,12)13/h2,6H,1H3
InChIKeyIEOQCLBJFBWBBM-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-(difluoromethyl)-3-fluoro-2-iodo-6-(trifluoromethoxy)pyridine
CID 118851432
4-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridin-3-ol
CID 118823942
[2-iodo-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 118807180
4-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 118851687
4-(difluoromethyl)-2-fluoro-6-methoxy-3-(trifluoromethoxy)pyridine
CID 118801347
4-(difluoromethyl)-2-fluoro-3-iodo-6-(trifluoromethoxy)pyridine
CID 118812829
2-iodo-3-methoxy-6-(trifluoromethoxy)pyridine-4-carbonyl chloride
CID 134675816
2-[2-iodo-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 134675739
5-(difluoromethyl)-2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine
CID 134666852
ethyl 4-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134677344
4-(bromomethyl)-2-(difluoromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine
CID 134668892
[2-(difluoromethyl)-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 134678172

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-iodo-3-methoxy-6-(trifluoromethoxy)pyridine?
The IUPAC name of 4-(difluoromethyl)-2-iodo-3-methoxy-6-(trifluoromethoxy)pyridine (CID 118823728) is 4-(difluoromethyl)-2-iodo-3-methoxy-6-(trifluoromethoxy)pyridine.
What is the SMILES notation for 4-(difluoromethyl)-2-iodo-3-methoxy-6-(trifluoromethoxy)pyridine?
The canonical SMILES for 4-(difluoromethyl)-2-iodo-3-methoxy-6-(trifluoromethoxy)pyridine is COc1c(C(F)F)cc(OC(F)(F)F)nc1I.
What is the InChIKey of 4-(difluoromethyl)-2-iodo-3-methoxy-6-(trifluoromethoxy)pyridine?
The InChIKey is IEOQCLBJFBWBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5INO2/c1-16-5-3(6(9)10)2-4(15-7(5)14)17-8(11,12)13/h2,6H,1H3.
What are the key properties of 4-(difluoromethyl)-2-iodo-3-methoxy-6-(trifluoromethoxy)pyridine?
4-(difluoromethyl)-2-iodo-3-methoxy-6-(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)-2-iodo-3-methoxy-6-(trifluoromethoxy)pyridine is sourced from PubChem (CID 118823728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).