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

C8H5F5INO — CID 118851102

IUPAC4-(difluoromethyl)-6-iodo-3-methyl-2-(trifluoromethoxy)pyridine
SMILESCc1c(C(F)F)cc(I)nc1OC(F)(F)F
InChIInChI=1S/C8H5F5INO/c1-3-4(6(9)10)2-5(14)15-7(3)16-8(11,12)13/h2,6H,1H3
InChIKeyMFVCRXOORPLHAI-UHFFFAOYSA-N
MW353.03 g/mol
LogP3.83
Rot. Bonds2

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

4-(difluoromethyl)-6-iodo-3-methyl-2-(trifluoromethoxy)pyridine (PubChem CID 118851102) has the molecular formula C8H5F5INO and a molecular weight of 353.03 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-iodo-3-methyl-2-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name4-(difluoromethyl)-6-iodo-3-methyl-2-(trifluoromethoxy)pyridine
PubChem CID118851102
Molecular FormulaC8H5F5INO
Molecular Weight353.03 g/mol
Exact Mass352.93
IUPAC Name4-(difluoromethyl)-6-iodo-3-methyl-2-(trifluoromethoxy)pyridine
SMILESCc1c(C(F)F)cc(I)nc1OC(F)(F)F
InChIInChI=1S/C8H5F5INO/c1-3-4(6(9)10)2-5(14)15-7(3)16-8(11,12)13/h2,6H,1H3
InChIKeyMFVCRXOORPLHAI-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[4-(difluoromethyl)-6-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 118829537
4-(chloromethyl)-6-iodo-3-methyl-2-(trifluoromethoxy)pyridine
CID 130112811
3-(difluoromethyl)-2-iodo-5-methoxy-6-(trifluoromethoxy)pyridine
CID 134680703
6-(difluoromethyl)-3-methyl-2-(trifluoromethoxy)pyridine-4-carbonitrile
CID 118839308
[5-(difluoromethyl)-6-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134662929
4-chloro-6-(difluoromethyl)-3-methyl-2-(trifluoromethoxy)pyridine
CID 118822584
4-(difluoromethyl)-6-iodo-2-methoxypyridin-3-ol
CID 118801396
2-(chloromethyl)-4-(difluoromethyl)-6-iodo-3-methylpyridine
CID 118837290
5-(difluoromethyl)-2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine
CID 134666852
3-(difluoromethyl)-6-iodo-5-(trifluoromethoxy)pyridin-2-amine
CID 119022211
5-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134679457
3-bromo-4-fluoro-6-iodo-2-(trifluoromethoxy)pyridine
CID 131118784

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-iodo-3-methyl-2-(trifluoromethoxy)pyridine?
The IUPAC name of 4-(difluoromethyl)-6-iodo-3-methyl-2-(trifluoromethoxy)pyridine (CID 118851102) is 4-(difluoromethyl)-6-iodo-3-methyl-2-(trifluoromethoxy)pyridine.
What is the SMILES notation for 4-(difluoromethyl)-6-iodo-3-methyl-2-(trifluoromethoxy)pyridine?
The canonical SMILES for 4-(difluoromethyl)-6-iodo-3-methyl-2-(trifluoromethoxy)pyridine is Cc1c(C(F)F)cc(I)nc1OC(F)(F)F.
What is the InChIKey of 4-(difluoromethyl)-6-iodo-3-methyl-2-(trifluoromethoxy)pyridine?
The InChIKey is MFVCRXOORPLHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5INO/c1-3-4(6(9)10)2-5(14)15-7(3)16-8(11,12)13/h2,6H,1H3.
What are the key properties of 4-(difluoromethyl)-6-iodo-3-methyl-2-(trifluoromethoxy)pyridine?
4-(difluoromethyl)-6-iodo-3-methyl-2-(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 4-(difluoromethyl)-6-iodo-3-methyl-2-(trifluoromethoxy)pyridine is sourced from PubChem (CID 118851102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).