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

C7H4ClF3INO2 — CID 130111265

IUPAC6-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridin-3-ol
SMILESOc1c(I)cc(CCl)nc1OC(F)(F)F
InChIInChI=1S/C7H4ClF3INO2/c8-2-3-1-4(12)5(14)6(13-3)15-7(9,10)11/h1,14H,2H2
InChIKeyYCOXMCBGUKLGPP-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.03
Rot. Bonds2

About 6-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridin-3-ol

6-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridin-3-ol (PubChem CID 130111265) has the molecular formula C7H4ClF3INO2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 6-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridin-3-ol.

Molecular Properties

Compound Name6-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridin-3-ol
PubChem CID130111265
Molecular FormulaC7H4ClF3INO2
Molecular Weight353.47 g/mol
Exact Mass352.89
IUPAC Name6-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridin-3-ol
SMILESOc1c(I)cc(CCl)nc1OC(F)(F)F
InChIInChI=1S/C7H4ClF3INO2/c8-2-3-1-4(12)5(14)6(13-3)15-7(9,10)11/h1,14H,2H2
InChIKeyYCOXMCBGUKLGPP-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

6-(chloromethyl)-3-iodo-4-methyl-2-(trifluoromethoxy)pyridine
CID 130112786
5-(chloromethyl)-6-iodo-2-(trifluoromethoxy)pyridin-3-ol
CID 130111282
5-hydroxy-4-iodo-6-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 130111506
[6-(chloromethyl)-3-methoxy-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134681943
6-(chloromethyl)-4-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134672327
6-(chloromethyl)-3-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)pyridine
CID 134666809
6-bromo-5-iodo-2-(trifluoromethoxy)pyridin-3-ol
CID 130909745
5-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridin-3-ol
CID 130111284
6-(chloromethyl)-4-methoxy-3-nitro-2-(trifluoromethoxy)pyridine
CID 134670317
[4-iodo-5-nitro-6-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 134667507
2-[5-hydroxy-3-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134680320
[4-(chloromethyl)-6-iodo-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 130113258

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridin-3-ol?
The IUPAC name of 6-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridin-3-ol (CID 130111265) is 6-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridin-3-ol.
What is the SMILES notation for 6-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridin-3-ol?
The canonical SMILES for 6-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridin-3-ol is Oc1c(I)cc(CCl)nc1OC(F)(F)F.
What is the InChIKey of 6-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridin-3-ol?
The InChIKey is YCOXMCBGUKLGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3INO2/c8-2-3-1-4(12)5(14)6(13-3)15-7(9,10)11/h1,14H,2H2.
What are the key properties of 6-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridin-3-ol?
6-(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 6-(chloromethyl)-4-iodo-2-(trifluoromethoxy)pyridin-3-ol is sourced from PubChem (CID 130111265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).