2-(fluoromethyl)-4-iodo-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine

C8H3F7INO — CID 134676696

IUPAC2-(fluoromethyl)-4-iodo-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
SMILESFCc1nc(C(F)(F)F)cc(I)c1OC(F)(F)F
InChIInChI=1S/C8H3F7INO/c9-2-4-6(18-8(13,14)15)3(16)1-5(17-4)7(10,11)12/h1H,2H2
InChIKeyZTYRLXGLSNLJRY-UHFFFAOYSA-N
MW389.01 g/mol
LogP4.07
Rot. Bonds2

About 2-(fluoromethyl)-4-iodo-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine

2-(fluoromethyl)-4-iodo-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine (PubChem CID 134676696) has the molecular formula C8H3F7INO and a molecular weight of 389.01 g/mol. Its IUPAC name is 2-(fluoromethyl)-4-iodo-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(fluoromethyl)-4-iodo-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
PubChem CID134676696
Molecular FormulaC8H3F7INO
Molecular Weight389.01 g/mol
Exact Mass388.91
IUPAC Name2-(fluoromethyl)-4-iodo-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
SMILESFCc1nc(C(F)(F)F)cc(I)c1OC(F)(F)F
InChIInChI=1S/C8H3F7INO/c9-2-4-6(18-8(13,14)15)3(16)1-5(17-4)7(10,11)12/h1H,2H2
InChIKeyZTYRLXGLSNLJRY-UHFFFAOYSA-N
XLogP4.07
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.01
LogP ≤ 54.07
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

4-bromo-2-iodo-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine
CID 118822750
[4-methoxy-3-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]methanol
CID 134668178
2-[4-iodo-5-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118850021
2-(fluoromethyl)-5-iodo-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118849000
[6-(fluoromethyl)-5-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 118803901
2-(difluoromethyl)-4-iodo-3-methoxy-6-(trifluoromethyl)pyridine
CID 118809295
2-[2-(bromomethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 134659459
2-(chloromethyl)-4-iodo-6-nitro-3-(trifluoromethoxy)pyridine
CID 118809105
2-(fluoromethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118995657
methyl 2-[4-iodo-6-methoxy-3-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134680669
[4-iodo-6-methyl-5-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118827484
2-(fluoromethyl)-6-methyl-4-nitro-3-(trifluoromethoxy)pyridine
CID 118826412

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-4-iodo-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-(fluoromethyl)-4-iodo-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine (CID 134676696) is 2-(fluoromethyl)-4-iodo-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(fluoromethyl)-4-iodo-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(fluoromethyl)-4-iodo-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine is FCc1nc(C(F)(F)F)cc(I)c1OC(F)(F)F.
What is the InChIKey of 2-(fluoromethyl)-4-iodo-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine?
The InChIKey is ZTYRLXGLSNLJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F7INO/c9-2-4-6(18-8(13,14)15)3(16)1-5(17-4)7(10,11)12/h1H,2H2.
What are the key properties of 2-(fluoromethyl)-4-iodo-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine?
2-(fluoromethyl)-4-iodo-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine has a molecular weight of 389.01 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-4-iodo-3-(trifluoromethoxy)-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 134676696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).