3-hydroxy-2-iodo-5-(trifluoromethoxy)pyridine-4-carbonyl chloride

C7H2ClF3INO3 — CID 134659702

IUPAC3-hydroxy-2-iodo-5-(trifluoromethoxy)pyridine-4-carbonyl chloride
SMILESO=C(Cl)c1c(OC(F)(F)F)cnc(I)c1O
InChIInChI=1S/C7H2ClF3INO3/c8-5(15)3-2(16-7(9,10)11)1-13-6(12)4(3)14/h1,14H
InChIKeyHZFGXGHTRXJKRL-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.67
Rot. Bonds2

About 3-hydroxy-2-iodo-5-(trifluoromethoxy)pyridine-4-carbonyl chloride

3-hydroxy-2-iodo-5-(trifluoromethoxy)pyridine-4-carbonyl chloride (PubChem CID 134659702) has the molecular formula C7H2ClF3INO3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-hydroxy-2-iodo-5-(trifluoromethoxy)pyridine-4-carbonyl chloride.

Molecular Properties

Compound Name3-hydroxy-2-iodo-5-(trifluoromethoxy)pyridine-4-carbonyl chloride
PubChem CID134659702
Molecular FormulaC7H2ClF3INO3
Molecular Weight367.45 g/mol
Exact Mass366.87
IUPAC Name3-hydroxy-2-iodo-5-(trifluoromethoxy)pyridine-4-carbonyl chloride
SMILESO=C(Cl)c1c(OC(F)(F)F)cnc(I)c1O
InChIInChI=1S/C7H2ClF3INO3/c8-5(15)3-2(16-7(9,10)11)1-13-6(12)4(3)14/h1,14H
InChIKeyHZFGXGHTRXJKRL-UHFFFAOYSA-N
XLogP2.67
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-iodo-5-(trifluoromethoxy)pyridine-4-carbonyl chloride?
The IUPAC name of 3-hydroxy-2-iodo-5-(trifluoromethoxy)pyridine-4-carbonyl chloride (CID 134659702) is 3-hydroxy-2-iodo-5-(trifluoromethoxy)pyridine-4-carbonyl chloride.
What is the SMILES notation for 3-hydroxy-2-iodo-5-(trifluoromethoxy)pyridine-4-carbonyl chloride?
The canonical SMILES for 3-hydroxy-2-iodo-5-(trifluoromethoxy)pyridine-4-carbonyl chloride is O=C(Cl)c1c(OC(F)(F)F)cnc(I)c1O.
What is the InChIKey of 3-hydroxy-2-iodo-5-(trifluoromethoxy)pyridine-4-carbonyl chloride?
The InChIKey is HZFGXGHTRXJKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClF3INO3/c8-5(15)3-2(16-7(9,10)11)1-13-6(12)4(3)14/h1,14H.
What are the key properties of 3-hydroxy-2-iodo-5-(trifluoromethoxy)pyridine-4-carbonyl chloride?
3-hydroxy-2-iodo-5-(trifluoromethoxy)pyridine-4-carbonyl chloride has a molecular weight of 367.45 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-iodo-5-(trifluoromethoxy)pyridine-4-carbonyl chloride is sourced from PubChem (CID 134659702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).