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

C8H5F5INO2 — CID 134666852

IUPAC5-(difluoromethyl)-2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine
SMILESCOc1nc(I)c(OC(F)(F)F)cc1C(F)F
InChIInChI=1S/C8H5F5INO2/c1-16-7-3(5(9)10)2-4(6(14)15-7)17-8(11,12)13/h2,5H,1H3
InChIKeyZNIARJHUSUBFPI-UHFFFAOYSA-N
MW369.03 g/mol
LogP3.53
Rot. Bonds3

About 5-(difluoromethyl)-2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine

5-(difluoromethyl)-2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine (PubChem CID 134666852) has the molecular formula C8H5F5INO2 and a molecular weight of 369.03 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name5-(difluoromethyl)-2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine
PubChem CID134666852
Molecular FormulaC8H5F5INO2
Molecular Weight369.03 g/mol
Exact Mass368.93
IUPAC Name5-(difluoromethyl)-2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine
SMILESCOc1nc(I)c(OC(F)(F)F)cc1C(F)F
InChIInChI=1S/C8H5F5INO2/c1-16-7-3(5(9)10)2-4(6(14)15-7)17-8(11,12)13/h2,5H,1H3
InChIKeyZNIARJHUSUBFPI-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

3-(difluoromethyl)-2-iodo-5-methoxy-6-(trifluoromethoxy)pyridine
CID 134680703
3-(difluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridin-2-amine
CID 119022211
5-(difluoromethyl)-3,6-dimethoxypyridin-2-amine
CID 119013343
2-[6-iodo-2-methoxy-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134667065
methyl 3-(difluoromethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134677228
4-(difluoromethyl)-2-iodo-3-methoxy-6-(trifluoromethoxy)pyridine
CID 118823728
5-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134679457
[2-iodo-6-methoxy-5-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 134666898
[5-(difluoromethyl)-6-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134662929
3-(chloromethyl)-5-(difluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine
CID 134670580
5-(difluoromethyl)-2-fluoro-6-methoxy-3-methylpyridine
CID 130080552
3-iodo-2-methoxy-6-methyl-5-(trifluoromethoxy)pyridine
CID 130112551

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine?
The IUPAC name of 5-(difluoromethyl)-2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine (CID 134666852) is 5-(difluoromethyl)-2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine.
What is the SMILES notation for 5-(difluoromethyl)-2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine?
The canonical SMILES for 5-(difluoromethyl)-2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine is COc1nc(I)c(OC(F)(F)F)cc1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine?
The InChIKey is ZNIARJHUSUBFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5INO2/c1-16-7-3(5(9)10)2-4(6(14)15-7)17-8(11,12)13/h2,5H,1H3.
What are the key properties of 5-(difluoromethyl)-2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine?
5-(difluoromethyl)-2-iodo-6-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 5-(difluoromethyl)-2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine is sourced from PubChem (CID 134666852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).