[4-(difluoromethyl)-6-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol

C8H5F5INO2 — CID 118829537

IUPAC[4-(difluoromethyl)-6-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol
SMILESOCc1c(C(F)F)cc(I)nc1OC(F)(F)F
InChIInChI=1S/C8H5F5INO2/c9-6(10)3-1-5(14)15-7(4(3)2-16)17-8(11,12)13/h1,6,16H,2H2
InChIKeyFKIQBVXOJFFTEZ-UHFFFAOYSA-N
MW369.03 g/mol
LogP3.01
Rot. Bonds3

About [4-(difluoromethyl)-6-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol

[4-(difluoromethyl)-6-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol (PubChem CID 118829537) has the molecular formula C8H5F5INO2 and a molecular weight of 369.03 g/mol. Its IUPAC name is [4-(difluoromethyl)-6-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(difluoromethyl)-6-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol
PubChem CID118829537
Molecular FormulaC8H5F5INO2
Molecular Weight369.03 g/mol
Exact Mass368.93
IUPAC Name[4-(difluoromethyl)-6-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol
SMILESOCc1c(C(F)F)cc(I)nc1OC(F)(F)F
InChIInChI=1S/C8H5F5INO2/c9-6(10)3-1-5(14)15-7(4(3)2-16)17-8(11,12)13/h1,6,16H,2H2
InChIKeyFKIQBVXOJFFTEZ-UHFFFAOYSA-N
XLogP3.01
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.03
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-3-methyl-2-(trifluoromethoxy)pyridine
CID 118851102
[4-(chloromethyl)-6-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 130113258
[5-(difluoromethyl)-6-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134662929
[2-(aminomethyl)-4-(difluoromethyl)-6-iodo-3-pyridinyl]methanol
CID 118848266
[6-iodo-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134680765
3-(chloromethyl)-4-(difluoromethyl)-6-fluoro-2-(trifluoromethoxy)pyridine
CID 134659593
5-(difluoromethyl)-6-(hydroxymethyl)-2-(trifluoromethoxy)pyridin-3-ol
CID 134660021
[4-(difluoromethyl)-6-iodo-2-nitro-3-pyridinyl]methanol
CID 118852204
5-(difluoromethyl)-3-iodo-6-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134681405
[4-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 130092556
2-[4-(fluoromethyl)-6-iodo-2-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118840435
3-(bromomethyl)-6-iodo-2-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 134676564

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)-6-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol?
The IUPAC name of [4-(difluoromethyl)-6-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol (CID 118829537) is [4-(difluoromethyl)-6-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol.
What is the SMILES notation for [4-(difluoromethyl)-6-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol?
The canonical SMILES for [4-(difluoromethyl)-6-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol is OCc1c(C(F)F)cc(I)nc1OC(F)(F)F.
What is the InChIKey of [4-(difluoromethyl)-6-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol?
The InChIKey is FKIQBVXOJFFTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5INO2/c9-6(10)3-1-5(14)15-7(4(3)2-16)17-8(11,12)13/h1,6,16H,2H2.
What are the key properties of [4-(difluoromethyl)-6-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol?
[4-(difluoromethyl)-6-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol has a molecular weight of 369.03 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)-6-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol is sourced from PubChem (CID 118829537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).