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

C8H5F5INO — CID 130112855

IUPAC6-(difluoromethyl)-3-iodo-2-methyl-4-(trifluoromethoxy)pyridine
SMILESCc1nc(C(F)F)cc(OC(F)(F)F)c1I
InChIInChI=1S/C8H5F5INO/c1-3-6(14)5(16-8(11,12)13)2-4(15-3)7(9)10/h2,7H,1H3
InChIKeyMQBNNGCLSXEYLS-UHFFFAOYSA-N
MW353.03 g/mol
LogP3.83
Rot. Bonds2

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

6-(difluoromethyl)-3-iodo-2-methyl-4-(trifluoromethoxy)pyridine (PubChem CID 130112855) has the molecular formula C8H5F5INO and a molecular weight of 353.03 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-iodo-2-methyl-4-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name6-(difluoromethyl)-3-iodo-2-methyl-4-(trifluoromethoxy)pyridine
PubChem CID130112855
Molecular FormulaC8H5F5INO
Molecular Weight353.03 g/mol
Exact Mass352.93
IUPAC Name6-(difluoromethyl)-3-iodo-2-methyl-4-(trifluoromethoxy)pyridine
SMILESCc1nc(C(F)F)cc(OC(F)(F)F)c1I
InChIInChI=1S/C8H5F5INO/c1-3-6(14)5(16-8(11,12)13)2-4(15-3)7(9)10/h2,7H,1H3
InChIKeyMQBNNGCLSXEYLS-UHFFFAOYSA-N
XLogP3.83
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.03
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

6-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134681331
2-[6-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134670201
[6-(difluoromethyl)-3-iodo-2-methyl-4-pyridinyl]methanamine
CID 118852482
6-(difluoromethyl)-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridin-3-ol
CID 134663177
2-(difluoromethyl)-3-iodo-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 134681322
2-chloro-6-(difluoromethyl)-4-methoxy-3-(trifluoromethoxy)pyridine
CID 119008935
2-amino-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 119001123
[3-iodo-6-methyl-4-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118820077
4-chloro-6-(difluoromethyl)-3-methyl-2-(trifluoromethoxy)pyridine
CID 118822584
6-(difluoromethyl)-3-iodo-2-methylpyridine-4-sulfonamide
CID 130086431
6-(difluoromethyl)-2-fluoro-3-iodo-4-methoxypyridine
CID 130079854
6-(difluoromethyl)-4-methoxy-2-methylpyridin-3-amine
CID 130105843

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-iodo-2-methyl-4-(trifluoromethoxy)pyridine?
The IUPAC name of 6-(difluoromethyl)-3-iodo-2-methyl-4-(trifluoromethoxy)pyridine (CID 130112855) is 6-(difluoromethyl)-3-iodo-2-methyl-4-(trifluoromethoxy)pyridine.
What is the SMILES notation for 6-(difluoromethyl)-3-iodo-2-methyl-4-(trifluoromethoxy)pyridine?
The canonical SMILES for 6-(difluoromethyl)-3-iodo-2-methyl-4-(trifluoromethoxy)pyridine is Cc1nc(C(F)F)cc(OC(F)(F)F)c1I.
What is the InChIKey of 6-(difluoromethyl)-3-iodo-2-methyl-4-(trifluoromethoxy)pyridine?
The InChIKey is MQBNNGCLSXEYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5INO/c1-3-6(14)5(16-8(11,12)13)2-4(15-3)7(9)10/h2,7H,1H3.
What are the key properties of 6-(difluoromethyl)-3-iodo-2-methyl-4-(trifluoromethoxy)pyridine?
6-(difluoromethyl)-3-iodo-2-methyl-4-(trifluoromethoxy)pyridine has a molecular weight of 353.03 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-iodo-2-methyl-4-(trifluoromethoxy)pyridine is sourced from PubChem (CID 130112855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).