5-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridin-3-ol

C7H4ClF3INO2 — CID 130111284

IUPAC5-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridin-3-ol
SMILESOc1c(OC(F)(F)F)ncc(CCl)c1I
InChIInChI=1S/C7H4ClF3INO2/c8-1-3-2-13-6(5(14)4(3)12)15-7(9,10)11/h2,14H,1H2
InChIKeyBYOHQISCBNMMAU-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.03
Rot. Bonds2

About 5-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridin-3-ol

5-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridin-3-ol (PubChem CID 130111284) has the molecular formula C7H4ClF3INO2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 5-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridin-3-ol.

Molecular Properties

Compound Name5-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridin-3-ol
PubChem CID130111284
Molecular FormulaC7H4ClF3INO2
Molecular Weight353.47 g/mol
Exact Mass352.89
IUPAC Name5-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridin-3-ol
SMILESOc1c(OC(F)(F)F)ncc(CCl)c1I
InChIInChI=1S/C7H4ClF3INO2/c8-1-3-2-13-6(5(14)4(3)12)15-7(9,10)11/h2,14H,1H2
InChIKeyBYOHQISCBNMMAU-UHFFFAOYSA-N
XLogP3.03
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(fluoromethyl)-4-iodo-2-(trifluoromethoxy)pyridin-3-ol
CID 130111324
4,5-diiodo-2-(trifluoromethoxy)pyridin-3-ol
CID 131059755
5-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 130113288
2-[5-(chloromethyl)-4-iodo-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134667453
4-amino-5-(fluoromethyl)-2-(trifluoromethoxy)pyridin-3-ol
CID 118811668
[5-(chloromethyl)-2-(trifluoromethoxy)-4-(trifluoromethyl)-3-pyridinyl]methanol
CID 134671793
5-(chloromethyl)-6-iodo-2-(trifluoromethoxy)pyridin-3-ol
CID 130111282
2-(chloromethyl)-5-(hydroxymethyl)-4-(trifluoromethoxy)pyridin-3-ol
CID 118838341
[5-(chloromethyl)-3-(difluoromethyl)-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134668063
2-[4-bromo-5-iodo-6-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118811704
5-(chloromethyl)-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134666145
[4-iodo-5-methyl-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130112708

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridin-3-ol?
The IUPAC name of 5-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridin-3-ol (CID 130111284) is 5-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridin-3-ol.
What is the SMILES notation for 5-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridin-3-ol?
The canonical SMILES for 5-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridin-3-ol is Oc1c(OC(F)(F)F)ncc(CCl)c1I.
What is the InChIKey of 5-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridin-3-ol?
The InChIKey is BYOHQISCBNMMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3INO2/c8-1-3-2-13-6(5(14)4(3)12)15-7(9,10)11/h2,14H,1H2.
What are the key properties of 5-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridin-3-ol?
5-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridin-3-ol has a molecular weight of 353.47 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridin-3-ol is sourced from PubChem (CID 130111284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).