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

C8H5F5INO2 — CID 134680703

IUPAC3-(difluoromethyl)-2-iodo-5-methoxy-6-(trifluoromethoxy)pyridine
SMILESCOc1cc(C(F)F)c(I)nc1OC(F)(F)F
InChIInChI=1S/C8H5F5INO2/c1-16-4-2-3(5(9)10)6(14)15-7(4)17-8(11,12)13/h2,5H,1H3
InChIKeyUCNDGDMUISHQGS-UHFFFAOYSA-N
MW369.03 g/mol
LogP3.53
Rot. Bonds3

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

3-(difluoromethyl)-2-iodo-5-methoxy-6-(trifluoromethoxy)pyridine (PubChem CID 134680703) has the molecular formula C8H5F5INO2 and a molecular weight of 369.03 g/mol. Its IUPAC name is 3-(difluoromethyl)-2-iodo-5-methoxy-6-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name3-(difluoromethyl)-2-iodo-5-methoxy-6-(trifluoromethoxy)pyridine
PubChem CID134680703
Molecular FormulaC8H5F5INO2
Molecular Weight369.03 g/mol
Exact Mass368.93
IUPAC Name3-(difluoromethyl)-2-iodo-5-methoxy-6-(trifluoromethoxy)pyridine
SMILESCOc1cc(C(F)F)c(I)nc1OC(F)(F)F
InChIInChI=1S/C8H5F5INO2/c1-16-4-2-3(5(9)10)6(14)15-7(4)17-8(11,12)13/h2,5H,1H3
InChIKeyUCNDGDMUISHQGS-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

5-(difluoromethyl)-2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine
CID 134666852
[5-(difluoromethyl)-6-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134662929
4-(difluoromethyl)-6-iodo-3-methyl-2-(trifluoromethoxy)pyridine
CID 118851102
5-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134679457
3-(difluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridin-2-amine
CID 119022211
4-(difluoromethyl)-2-iodo-3-methoxy-6-(trifluoromethoxy)pyridine
CID 118823728
6-iodo-5-methoxy-2-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 131333881
methyl 3-(difluoromethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134677228
5-(difluoromethyl)-3,6-dimethoxypyridin-2-amine
CID 119013343
[4-(difluoromethyl)-6-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 118829537
3-(chloromethyl)-5-(difluoromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine
CID 134670580
4-(difluoromethyl)-3-methoxy-6-nitro-2-(trifluoromethoxy)pyridine
CID 118829479

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2-iodo-5-methoxy-6-(trifluoromethoxy)pyridine?
The IUPAC name of 3-(difluoromethyl)-2-iodo-5-methoxy-6-(trifluoromethoxy)pyridine (CID 134680703) is 3-(difluoromethyl)-2-iodo-5-methoxy-6-(trifluoromethoxy)pyridine.
What is the SMILES notation for 3-(difluoromethyl)-2-iodo-5-methoxy-6-(trifluoromethoxy)pyridine?
The canonical SMILES for 3-(difluoromethyl)-2-iodo-5-methoxy-6-(trifluoromethoxy)pyridine is COc1cc(C(F)F)c(I)nc1OC(F)(F)F.
What is the InChIKey of 3-(difluoromethyl)-2-iodo-5-methoxy-6-(trifluoromethoxy)pyridine?
The InChIKey is UCNDGDMUISHQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5INO2/c1-16-4-2-3(5(9)10)6(14)15-7(4)17-8(11,12)13/h2,5H,1H3.
What are the key properties of 3-(difluoromethyl)-2-iodo-5-methoxy-6-(trifluoromethoxy)pyridine?
3-(difluoromethyl)-2-iodo-5-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 3-(difluoromethyl)-2-iodo-5-methoxy-6-(trifluoromethoxy)pyridine is sourced from PubChem (CID 134680703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).