6-iodo-5-(trifluoromethyl)pyridin-3-ol

C6H3F3INO — CID 130822715

IUPAC6-iodo-5-(trifluoromethyl)pyridin-3-ol
SMILESOc1cnc(I)c(C(F)(F)F)c1
InChIInChI=1S/C6H3F3INO/c7-6(8,9)4-1-3(12)2-11-5(4)10/h1-2,12H
InChIKeyLUKLQSMLYSGYSZ-UHFFFAOYSA-N
MW288.99 g/mol
LogP2.41
Rot. Bonds

About 6-iodo-5-(trifluoromethyl)pyridin-3-ol

6-iodo-5-(trifluoromethyl)pyridin-3-ol (PubChem CID 130822715) has the molecular formula C6H3F3INO and a molecular weight of 288.99 g/mol. Its IUPAC name is 6-iodo-5-(trifluoromethyl)pyridin-3-ol.

Molecular Properties

Compound Name6-iodo-5-(trifluoromethyl)pyridin-3-ol
PubChem CID130822715
Molecular FormulaC6H3F3INO
Molecular Weight288.99 g/mol
Exact Mass288.92
IUPAC Name6-iodo-5-(trifluoromethyl)pyridin-3-ol
SMILESOc1cnc(I)c(C(F)(F)F)c1
InChIInChI=1S/C6H3F3INO/c7-6(8,9)4-1-3(12)2-11-5(4)10/h1-2,12H
InChIKeyLUKLQSMLYSGYSZ-UHFFFAOYSA-N
XLogP2.41
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.99
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-iodo-5-(trifluoromethyl)pyridin-3-ol?
The IUPAC name of 6-iodo-5-(trifluoromethyl)pyridin-3-ol (CID 130822715) is 6-iodo-5-(trifluoromethyl)pyridin-3-ol.
What is the SMILES notation for 6-iodo-5-(trifluoromethyl)pyridin-3-ol?
The canonical SMILES for 6-iodo-5-(trifluoromethyl)pyridin-3-ol is Oc1cnc(I)c(C(F)(F)F)c1.
What is the InChIKey of 6-iodo-5-(trifluoromethyl)pyridin-3-ol?
The InChIKey is LUKLQSMLYSGYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3INO/c7-6(8,9)4-1-3(12)2-11-5(4)10/h1-2,12H.
What are the key properties of 6-iodo-5-(trifluoromethyl)pyridin-3-ol?
6-iodo-5-(trifluoromethyl)pyridin-3-ol has a molecular weight of 288.99 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-5-(trifluoromethyl)pyridin-3-ol is sourced from PubChem (CID 130822715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).