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

C8H7F3INO2 — CID 130112544

IUPAC2-iodo-4-methoxy-6-methyl-3-(trifluoromethoxy)pyridine
SMILESCOc1cc(C)nc(I)c1OC(F)(F)F
InChIInChI=1S/C8H7F3INO2/c1-4-3-5(14-2)6(7(12)13-4)15-8(9,10)11/h3H,1-2H3
InChIKeySJMNDRYPCYPIRA-UHFFFAOYSA-N
MW333.05 g/mol
LogP2.90
Rot. Bonds2

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

2-iodo-4-methoxy-6-methyl-3-(trifluoromethoxy)pyridine (PubChem CID 130112544) has the molecular formula C8H7F3INO2 and a molecular weight of 333.05 g/mol. Its IUPAC name is 2-iodo-4-methoxy-6-methyl-3-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name2-iodo-4-methoxy-6-methyl-3-(trifluoromethoxy)pyridine
PubChem CID130112544
Molecular FormulaC8H7F3INO2
Molecular Weight333.05 g/mol
Exact Mass332.95
IUPAC Name2-iodo-4-methoxy-6-methyl-3-(trifluoromethoxy)pyridine
SMILESCOc1cc(C)nc(I)c1OC(F)(F)F
InChIInChI=1S/C8H7F3INO2/c1-4-3-5(14-2)6(7(12)13-4)15-8(9,10)11/h3H,1-2H3
InChIKeySJMNDRYPCYPIRA-UHFFFAOYSA-N
XLogP2.90
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.05
LogP ≤ 52.90
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

2-[2-iodo-6-methyl-3-(trifluoromethoxy)-4-pyridinyl]acetonitrile
CID 130112883
2-[4-methoxy-6-methyl-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134665056
2-iodo-5-methoxy-3-methyl-4-(trifluoromethoxy)pyridine
CID 130112546
ethyl 2-[2-iodo-6-methyl-3-(trifluoromethoxy)-4-pyridinyl]acetate
CID 134659962
2-[2-iodo-6-methyl-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134661419
[4-methoxy-6-methyl-5-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 134670225
6-iodo-4-methoxy-2-nitro-3-(trifluoromethoxy)pyridine
CID 134680699
2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 134660115
4-(chloromethyl)-2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine
CID 130112648
[3-iodo-6-methyl-4-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118820077
ethyl 2-[6-iodo-4-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134661495
4-methoxy-6-methyl-3-nitro-2-(trifluoromethoxy)pyridine
CID 134659446

Frequently Asked Questions

What is the IUPAC name of 2-iodo-4-methoxy-6-methyl-3-(trifluoromethoxy)pyridine?
The IUPAC name of 2-iodo-4-methoxy-6-methyl-3-(trifluoromethoxy)pyridine (CID 130112544) is 2-iodo-4-methoxy-6-methyl-3-(trifluoromethoxy)pyridine.
What is the SMILES notation for 2-iodo-4-methoxy-6-methyl-3-(trifluoromethoxy)pyridine?
The canonical SMILES for 2-iodo-4-methoxy-6-methyl-3-(trifluoromethoxy)pyridine is COc1cc(C)nc(I)c1OC(F)(F)F.
What is the InChIKey of 2-iodo-4-methoxy-6-methyl-3-(trifluoromethoxy)pyridine?
The InChIKey is SJMNDRYPCYPIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3INO2/c1-4-3-5(14-2)6(7(12)13-4)15-8(9,10)11/h3H,1-2H3.
What are the key properties of 2-iodo-4-methoxy-6-methyl-3-(trifluoromethoxy)pyridine?
2-iodo-4-methoxy-6-methyl-3-(trifluoromethoxy)pyridine has a molecular weight of 333.05 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-4-methoxy-6-methyl-3-(trifluoromethoxy)pyridine is sourced from PubChem (CID 130112544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).