4-(difluoromethoxy)-3-iodo-2-(trifluoromethyl)pyridine

C7H3F5INO — CID 118850087

IUPAC4-(difluoromethoxy)-3-iodo-2-(trifluoromethyl)pyridine
SMILESFC(F)Oc1ccnc(C(F)(F)F)c1I
InChIInChI=1S/C7H3F5INO/c8-6(9)15-3-1-2-14-5(4(3)13)7(10,11)12/h1-2,6H
InChIKeyFUBBRGFUXSHFAY-UHFFFAOYSA-N
MW339.00 g/mol
LogP3.31
Rot. Bonds2

About 4-(difluoromethoxy)-3-iodo-2-(trifluoromethyl)pyridine

4-(difluoromethoxy)-3-iodo-2-(trifluoromethyl)pyridine (PubChem CID 118850087) has the molecular formula C7H3F5INO and a molecular weight of 339.00 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-iodo-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-iodo-2-(trifluoromethyl)pyridine
PubChem CID118850087
Molecular FormulaC7H3F5INO
Molecular Weight339.00 g/mol
Exact Mass338.92
IUPAC Name4-(difluoromethoxy)-3-iodo-2-(trifluoromethyl)pyridine
SMILESFC(F)Oc1ccnc(C(F)(F)F)c1I
InChIInChI=1S/C7H3F5INO/c8-6(9)15-3-1-2-14-5(4(3)13)7(10,11)12/h1-2,6H
InChIKeyFUBBRGFUXSHFAY-UHFFFAOYSA-N
XLogP3.31
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.00
LogP ≤ 53.31
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

3-iodo-4-(2,3,4,5,6-pentachlorophenyl)-2-(trifluoromethyl)pyridine
CID 134626966
4-iodo-3-(2,3,4,5,6-pentachlorophenyl)-2-(trifluoromethyl)pyridine
CID 134628304
1-(difluoromethoxy)-4-fluoro-2,3-diiodobenzene
CID 118836171
1-(difluoromethoxy)-4-iodo-2,3-bis(trifluoromethyl)benzene
CID 134638325
3-(chloromethyl)-4-iodo-2-(trifluoromethyl)pyridine
CID 131072069
4-(difluoromethoxy)-3-fluoropyridine
CID 121231957
3-chloro-4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)pyridine
CID 174313071
2-(difluoromethyl)-3-iodo-4-(trifluoromethyl)pyridine
CID 130096758
3-(difluoromethoxy)-2-fluoropyridine
CID 74892042
3-(difluoromethyl)-4-iodo-5-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134665599
2-[2-(difluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 118994557
1-(difluoromethoxy)-4-iodo-2-(trifluoromethoxy)benzene
CID 170998457

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3-iodo-2-(trifluoromethyl)pyridine?
The IUPAC name of 4-(difluoromethoxy)-3-iodo-2-(trifluoromethyl)pyridine (CID 118850087) is 4-(difluoromethoxy)-3-iodo-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-(difluoromethoxy)-3-iodo-2-(trifluoromethyl)pyridine?
The canonical SMILES for 4-(difluoromethoxy)-3-iodo-2-(trifluoromethyl)pyridine is FC(F)Oc1ccnc(C(F)(F)F)c1I.
What is the InChIKey of 4-(difluoromethoxy)-3-iodo-2-(trifluoromethyl)pyridine?
The InChIKey is FUBBRGFUXSHFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F5INO/c8-6(9)15-3-1-2-14-5(4(3)13)7(10,11)12/h1-2,6H.
What are the key properties of 4-(difluoromethoxy)-3-iodo-2-(trifluoromethyl)pyridine?
4-(difluoromethoxy)-3-iodo-2-(trifluoromethyl)pyridine has a molecular weight of 339.00 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-3-iodo-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 118850087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).