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

C8H5F5IN — CID 130086110

IUPAC3-(difluoromethyl)-4-iodo-6-methyl-2-(trifluoromethyl)pyridine
SMILESCc1cc(I)c(C(F)F)c(C(F)(F)F)n1
InChIInChI=1S/C8H5F5IN/c1-3-2-4(14)5(7(9)10)6(15-3)8(11,12)13/h2,7H,1H3
InChIKeyGLHOZBYBDLVRPX-UHFFFAOYSA-N
MW337.03 g/mol
LogP3.95
Rot. Bonds1

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

3-(difluoromethyl)-4-iodo-6-methyl-2-(trifluoromethyl)pyridine (PubChem CID 130086110) has the molecular formula C8H5F5IN and a molecular weight of 337.03 g/mol. Its IUPAC name is 3-(difluoromethyl)-4-iodo-6-methyl-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-(difluoromethyl)-4-iodo-6-methyl-2-(trifluoromethyl)pyridine
PubChem CID130086110
Molecular FormulaC8H5F5IN
Molecular Weight337.03 g/mol
Exact Mass336.94
IUPAC Name3-(difluoromethyl)-4-iodo-6-methyl-2-(trifluoromethyl)pyridine
SMILESCc1cc(I)c(C(F)F)c(C(F)(F)F)n1
InChIInChI=1S/C8H5F5IN/c1-3-2-4(14)5(7(9)10)6(15-3)8(11,12)13/h2,7H,1H3
InChIKeyGLHOZBYBDLVRPX-UHFFFAOYSA-N
XLogP3.95
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.03
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(difluoromethyl)-2-fluoro-4-iodo-6-methylpyridine
CID 130079897
ethyl 2-[3-(difluoromethyl)-6-methyl-2-(trifluoromethyl)-4-pyridinyl]acetate
CID 171029313
6-bromo-3-(difluoromethyl)-4-methyl-2-(trifluoromethyl)pyridine
CID 130069265
3-(difluoromethyl)-4-iodo-2-methoxy-6-(trifluoromethyl)pyridine
CID 130085659
[4-(difluoromethyl)-6-methyl-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130088386
4,6-dichloro-3-(difluoromethyl)-2-(trifluoromethyl)pyridine
CID 118846674
3-(difluoromethyl)-6-iodo-2-(trifluoromethyl)pyridine-4-carboxylic acid
CID 133100823
4-bromo-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118800737
2-[4-(difluoromethyl)-6-methyl-2-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118824053
[6-amino-3-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]methanol
CID 130107727
6-(difluoromethyl)-4-fluoro-3-methyl-2-(trifluoromethyl)pyridine
CID 133105555
methyl 5-(difluoromethyl)-4-iodo-6-methylpyridine-2-carboxylate
CID 130086289

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4-iodo-6-methyl-2-(trifluoromethyl)pyridine?
The IUPAC name of 3-(difluoromethyl)-4-iodo-6-methyl-2-(trifluoromethyl)pyridine (CID 130086110) is 3-(difluoromethyl)-4-iodo-6-methyl-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-(difluoromethyl)-4-iodo-6-methyl-2-(trifluoromethyl)pyridine?
The canonical SMILES for 3-(difluoromethyl)-4-iodo-6-methyl-2-(trifluoromethyl)pyridine is Cc1cc(I)c(C(F)F)c(C(F)(F)F)n1.
What is the InChIKey of 3-(difluoromethyl)-4-iodo-6-methyl-2-(trifluoromethyl)pyridine?
The InChIKey is GLHOZBYBDLVRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5IN/c1-3-2-4(14)5(7(9)10)6(15-3)8(11,12)13/h2,7H,1H3.
What are the key properties of 3-(difluoromethyl)-4-iodo-6-methyl-2-(trifluoromethyl)pyridine?
3-(difluoromethyl)-4-iodo-6-methyl-2-(trifluoromethyl)pyridine has a molecular weight of 337.03 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-4-iodo-6-methyl-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 130086110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).