2-chloro-5-iodo-3-(trifluoromethoxymethyl)pyridine

C7H4ClF3INO — CID 121235124

IUPAC2-chloro-5-iodo-3-(trifluoromethoxymethyl)pyridine
SMILESFC(F)(F)OCc1cc(I)cnc1Cl
InChIInChI=1S/C7H4ClF3INO/c8-6-4(1-5(12)2-13-6)3-14-7(9,10)11/h1-2H,3H2
InChIKeyDGAUGGJXKKEYDH-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.38
Rot. Bonds2

About 2-chloro-5-iodo-3-(trifluoromethoxymethyl)pyridine

2-chloro-5-iodo-3-(trifluoromethoxymethyl)pyridine (PubChem CID 121235124) has the molecular formula C7H4ClF3INO and a molecular weight of 337.47 g/mol. Its IUPAC name is 2-chloro-5-iodo-3-(trifluoromethoxymethyl)pyridine.

Molecular Properties

Compound Name2-chloro-5-iodo-3-(trifluoromethoxymethyl)pyridine
PubChem CID121235124
Molecular FormulaC7H4ClF3INO
Molecular Weight337.47 g/mol
Exact Mass336.90
IUPAC Name2-chloro-5-iodo-3-(trifluoromethoxymethyl)pyridine
SMILESFC(F)(F)OCc1cc(I)cnc1Cl
InChIInChI=1S/C7H4ClF3INO/c8-6-4(1-5(12)2-13-6)3-14-7(9,10)11/h1-2H,3H2
InChIKeyDGAUGGJXKKEYDH-UHFFFAOYSA-N
XLogP3.38
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.38
H-Bond Donors ≤ 50
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 2-chloro-5-iodo-3-(trifluoromethoxymethyl)pyridine?
The IUPAC name of 2-chloro-5-iodo-3-(trifluoromethoxymethyl)pyridine (CID 121235124) is 2-chloro-5-iodo-3-(trifluoromethoxymethyl)pyridine.
What is the SMILES notation for 2-chloro-5-iodo-3-(trifluoromethoxymethyl)pyridine?
The canonical SMILES for 2-chloro-5-iodo-3-(trifluoromethoxymethyl)pyridine is FC(F)(F)OCc1cc(I)cnc1Cl.
What is the InChIKey of 2-chloro-5-iodo-3-(trifluoromethoxymethyl)pyridine?
The InChIKey is DGAUGGJXKKEYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF3INO/c8-6-4(1-5(12)2-13-6)3-14-7(9,10)11/h1-2H,3H2.
What are the key properties of 2-chloro-5-iodo-3-(trifluoromethoxymethyl)pyridine?
2-chloro-5-iodo-3-(trifluoromethoxymethyl)pyridine has a molecular weight of 337.47 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-iodo-3-(trifluoromethoxymethyl)pyridine is sourced from PubChem (CID 121235124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).