[2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)-4-pyridinyl]methanol

C8H5F5INO — CID 118854091

IUPAC[2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)-4-pyridinyl]methanol
SMILESOCc1c(C(F)(F)F)cnc(C(F)F)c1I
InChIInChI=1S/C8H5F5INO/c9-7(10)6-5(14)3(2-16)4(1-15-6)8(11,12)13/h1,7,16H,2H2
InChIKeyHWNRWOJPWDJIDU-UHFFFAOYSA-N
MW353.03 g/mol
LogP3.13
Rot. Bonds2

About [2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)-4-pyridinyl]methanol

[2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)-4-pyridinyl]methanol (PubChem CID 118854091) has the molecular formula C8H5F5INO and a molecular weight of 353.03 g/mol. Its IUPAC name is [2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)-4-pyridinyl]methanol
PubChem CID118854091
Molecular FormulaC8H5F5INO
Molecular Weight353.03 g/mol
Exact Mass352.93
IUPAC Name[2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)-4-pyridinyl]methanol
SMILESOCc1c(C(F)(F)F)cnc(C(F)F)c1I
InChIInChI=1S/C8H5F5INO/c9-7(10)6-5(14)3(2-16)4(1-15-6)8(11,12)13/h1,7,16H,2H2
InChIKeyHWNRWOJPWDJIDU-UHFFFAOYSA-N
XLogP3.13
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.03
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)pyridine
CID 130087396
2-[2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118843000
[2-(difluoromethyl)-3-iodo-5-(trifluoromethoxy)-4-pyridinyl]methanol
CID 118837393
[2-(difluoromethyl)-4-iodo-5-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130086810
2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)pyridin-4-amine
CID 118812353
[5-(aminomethyl)-2-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]methanol
CID 133084455
6-(difluoromethyl)-4-(hydroxymethyl)-5-(trifluoromethyl)pyridin-3-ol
CID 130085374
[2-(difluoromethyl)-5-methyl-4-(trifluoromethyl)-3-pyridinyl]methanol
CID 118826518
[2-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]methanol
CID 118837003
2-[2-(difluoromethyl)-3-hydroxy-5-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 118809162
[3-(difluoromethyl)-5-(trifluoromethyl)-4-pyridinyl]methanol
CID 134672402
[2-(difluoromethyl)-5-iodo-3-(trifluoromethoxy)-4-pyridinyl]methanol
CID 118815229

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)-4-pyridinyl]methanol?
The IUPAC name of [2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)-4-pyridinyl]methanol (CID 118854091) is [2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)-4-pyridinyl]methanol.
What is the SMILES notation for [2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)-4-pyridinyl]methanol?
The canonical SMILES for [2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)-4-pyridinyl]methanol is OCc1c(C(F)(F)F)cnc(C(F)F)c1I.
What is the InChIKey of [2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)-4-pyridinyl]methanol?
The InChIKey is HWNRWOJPWDJIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5INO/c9-7(10)6-5(14)3(2-16)4(1-15-6)8(11,12)13/h1,7,16H,2H2.
What are the key properties of [2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)-4-pyridinyl]methanol?
[2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)-4-pyridinyl]methanol has a molecular weight of 353.03 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethyl)-3-iodo-5-(trifluoromethyl)-4-pyridinyl]methanol is sourced from PubChem (CID 118854091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).